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Pyrroline

Organische heterozyklische Verbindungen, die aus einem fünfgliedrigen Ring mit vier Kohlenstoffatomen, einem Stickstoffatom und einer doppelten Bindung bestehen.
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1

3-Pyrrolin, tech. 85 % (Rest Pyrrolidin), Thermo Scientific Chemicals

CAS: 109-96-6 Summenformel: C4H7N Molekulargewicht (g/mol): 69.107 MDL-Nummer: MFCD00005213 InChI-Schlüssel: JVQIKJMSUIMUDI-UHFFFAOYSA-N PubChem CID: 66059 ChEBI: CHEBI:20198 IUPAC-Name: 2,5-Dihydro-1H-Pyrrol SMILES: C1C=CCN1

InChI-Schlüssel JVQIKJMSUIMUDI-UHFFFAOYSA-N
IUPAC-Name 2,5-Dihydro-1H-Pyrrol
PubChem CID 66059
CAS 109-96-6
ChEBI CHEBI:20198
MDL-Nummer MFCD00005213
Molekulargewicht (g/mol) 69.107
SMILES C1C=CCN1
Summenformel C4H7N
2

3-Pyrrolin, 96 %, Thermo Scientific Chemicals

CAS: 109-96-6 Summenformel: C4H7N Molekulargewicht (g/mol): 69.107 MDL-Nummer: MFCD00005213 InChI-Schlüssel: JVQIKJMSUIMUDI-UHFFFAOYSA-N PubChem CID: 66059 ChEBI: CHEBI:20198 IUPAC-Name: 2,5-Dihydro-1H-Pyrrol SMILES: C1C=CCN1

InChI-Schlüssel JVQIKJMSUIMUDI-UHFFFAOYSA-N
IUPAC-Name 2,5-Dihydro-1H-Pyrrol
PubChem CID 66059
CAS 109-96-6
ChEBI CHEBI:20198
MDL-Nummer MFCD00005213
Molekulargewicht (g/mol) 69.107
SMILES C1C=CCN1
Summenformel C4H7N
3

2-Methyl-1-pyrrolin, Thermo Scientific Chemicals

CAS: 872-32-2 Summenformel: C5H10N Molekulargewicht (g/mol): 84.14 MDL-Nummer: MFCD00128806 InChI-Schlüssel: OZLJZWIVBYLSOK-UHFFFAOYSA-N Synonym: 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 PubChem CID: 70103 ChEBI: CHEBI:78856 IUPAC-Name: 5-Methyl-3,4-Dihydro-2H-Pyrrol SMILES: C[C+]1CCCN1

InChI-Schlüssel OZLJZWIVBYLSOK-UHFFFAOYSA-N
IUPAC-Name 5-Methyl-3,4-Dihydro-2H-Pyrrol
PubChem CID 70103
CAS 872-32-2
ChEBI CHEBI:78856
MDL-Nummer MFCD00128806
Molekulargewicht (g/mol) 84.14
SMILES C[C+]1CCCN1
Synonym 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412
Summenformel C5H10N
4

2-Methyl-1-pyrrolin, 98 %, Thermo Scientific Chemicals

CAS: 872-32-2 Summenformel: C5H10N Molekulargewicht (g/mol): 84.14 MDL-Nummer: MFCD00128806 InChI-Schlüssel: OZLJZWIVBYLSOK-UHFFFAOYSA-N Synonym: 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412 PubChem CID: 70103 ChEBI: CHEBI:78856 SMILES: C[C+]1CCCN1

InChI-Schlüssel OZLJZWIVBYLSOK-UHFFFAOYSA-N
PubChem CID 70103
CAS 872-32-2
ChEBI CHEBI:78856
MDL-Nummer MFCD00128806
Molekulargewicht (g/mol) 84.14
SMILES C[C+]1CCCN1
Synonym 2-methyl-1-pyrroline,3,4-dihydro-5-methyl-2h-pyrrole,1pyrroline2methyl,2h-pyrrole, 3,4-dihydro-5-methyl,pubchem9412
Summenformel C5H10N
5

3-Ethyl-4-methyl-3-pyrrolin-2-on, 98 %, Thermo Scientific Chemicals

CAS: 766-36-9 Summenformel: C7H11NO Molekulargewicht (g/mol): 125.17 MDL-Nummer: MFCD00173861 InChI-Schlüssel: YCTNTSVMJWIYTQ-UHFFFAOYSA-N Synonym: 3-ethyl-4-methyl-3-pyrrolin-2-one,3-ethyl-4-methyl-3-pyrroline-2-one,3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one,3-ethyl-4-methyl-1h-pyrrol-2 5h-one,1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one,2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl,3-ethyl-4-methyl-2-oxo-3-pyrroline,3-ethyl-4-methyl-1,5-dihydropyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one,pubchem12392 PubChem CID: 854146 SMILES: CCC1=C(C)CNC1=O

InChI-Schlüssel YCTNTSVMJWIYTQ-UHFFFAOYSA-N
PubChem CID 854146
CAS 766-36-9
MDL-Nummer MFCD00173861
Molekulargewicht (g/mol) 125.17
SMILES CCC1=C(C)CNC1=O
Synonym 3-ethyl-4-methyl-3-pyrrolin-2-one,3-ethyl-4-methyl-3-pyrroline-2-one,3-ethyl-4-methyl-2,5-dihydro-1h-pyrrol-2-one,3-ethyl-4-methyl-1h-pyrrol-2 5h-one,1,5-dihydro-3-ethyl-4-methyl-2h-pyrrol-2-one,2h-pyrrol-2-one, 3-ethyl-1,5-dihydro-4-methyl,3-ethyl-4-methyl-2-oxo-3-pyrroline,3-ethyl-4-methyl-1,5-dihydropyrrol-2-one,3-ethyl-1,5-dihydro-4-methyl-2h-pyrrol-2-one,pubchem12392
Summenformel C7H11NO
6

2-[4-(Methoxycarbonyl)-5-methyl-2-oxo-2,3-dihydro-1H-pyrrol-3-yl]-essigsäure, 97 %, Thermo Scientific™

CAS: 77978-73-5 Summenformel: C9H11NO5 Molekulargewicht (g/mol): 213.189 MDL-Nummer: MFCD00173859 InChI-Schlüssel: WLKUVVIAHUXPSB-UHFFFAOYSA-N Synonym: 2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl acetic acid,4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,1h-pyrrole-3-aceticacid, 2,3-dihydro-4-methoxycarbonyl-5-methyl-2-oxo,maybridge1_002247,3-methoxycarbonyl-2-methyl-5-oxo-2-pyrrolin-4-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3yl acetic acid PubChem CID: 2774998 IUPAC-Name: 2-(4-Methoxycarbonyl-5-Methyl-2-Oxo-1,3-Dihydropyrrol-3-yl)Ethansäure SMILES: CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC

InChI-Schlüssel WLKUVVIAHUXPSB-UHFFFAOYSA-N
IUPAC-Name 2-(4-Methoxycarbonyl-5-Methyl-2-Oxo-1,3-Dihydropyrrol-3-yl)Ethansäure
PubChem CID 2774998
CAS 77978-73-5
MDL-Nummer MFCD00173859
Molekulargewicht (g/mol) 213.189
SMILES CC1=C(C(C(=O)N1)CC(=O)O)C(=O)OC
Synonym 2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3-yl acetic acid,4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,1h-pyrrole-3-aceticacid, 2,3-dihydro-4-methoxycarbonyl-5-methyl-2-oxo,maybridge1_002247,3-methoxycarbonyl-2-methyl-5-oxo-2-pyrrolin-4-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-1,3-dihydropyrrol-3-yl acetic acid,2-4-methoxycarbonyl-5-methyl-2-oxo-2,3-dihydro-1h-pyrrol-3yl acetic acid
Summenformel C9H11NO5
7

4-Methoxy-3-pyrrolin-2-on, 99 %, Thermo Scientific Chemicals

CAS: 69778-83-2 Summenformel: C5H7NO2 Molekulargewicht (g/mol): 113.116 MDL-Nummer: MFCD00071564 InChI-Schlüssel: TXKQBYYDTLOLHA-UHFFFAOYSA-N Synonym: 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one PubChem CID: 574769 IUPAC-Name: 3-Methoxy-1,2-Dihydropyrrol-5-on SMILES: COC1=CC(=O)NC1

InChI-Schlüssel TXKQBYYDTLOLHA-UHFFFAOYSA-N
IUPAC-Name 3-Methoxy-1,2-Dihydropyrrol-5-on
PubChem CID 574769
CAS 69778-83-2
MDL-Nummer MFCD00071564
Molekulargewicht (g/mol) 113.116
SMILES COC1=CC(=O)NC1
Synonym 4-methoxy-3-pyrrolin-2-one,4-methoxy-1h-pyrrol-2 5h-one,4-methoxy-1,5-dihydro-2h-pyrrol-2-one,4-methoxy-1,5-dihydropyrrol-2-one,2h-pyrrol-2-one, 1,5-dihydro-4-methoxy,4-methoxy-2,5-dihydro-1h-pyrrol-2-one,4-methoxy-1,5-dihydropyrro-2-one,1,5-dihydro-4-methoxy-2h-pyrrol-2-on,4-methoxy-3-pyrroline-2-one
Summenformel C5H7NO2
8

3-Hydroxymethyl-(1-Oxy-2,2,5,5-Tetramethylpyrrolin), TRC

CAS: 55738-75-5 Summenformel: C9 H16 N O2 Molekulargewicht (g/mol): 170.23 Synonym: 1H-Pyrrol-1-yloxy, 2,5-dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-,2,5-Dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy,3-Hydroxymethyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy,3-Hydroxymethyl-2,2,5,5-tetramethylpyrrolin-1-oxyl,3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl,3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-1-oxyl IUPAC-Name: (1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)methanol SMILES: CC1(C)C=C(CO)C(C)(C)N1[O]

IUPAC-Name (1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-yl)methanol
CAS 55738-75-5
Molekulargewicht (g/mol) 170.23
SMILES CC1(C)C=C(CO)C(C)(C)N1[O]
Synonym 1H-Pyrrol-1-yloxy, 2,5-dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-,2,5-Dihydro-3-(hydroxymethyl)-2,2,5,5-tetramethyl-1H-pyrrol-1-yloxy,3-Hydroxymethyl-2,2,5,5-tetramethyl-3-pyrrolin-1-yloxy,3-Hydroxymethyl-2,2,5,5-tetramethylpyrrolin-1-oxyl,3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-N-oxyl,3-Hydroxymethyl-2,2,5,5-tetramethylpyrroline-1-oxyl
Summenformel C9 H16 N O2
9

3-Methoxycarbonyl-2,2,5,5-Tetramethyl-3-Pyrrolidin-1-oxyl, TRC

CAS: 2154-32-7 Summenformel: C10 H18 N O3 Molekulargewicht (g/mol): 200.25 IUPAC-Name: Methyl 1-λ^{1}-Oxidanyl-2,2,5,5-Tetramethylpyrrolidin-3-Carboxylat SMILES: COC(=O)C1CC(C)(C)N([O])C1(C)C

IUPAC-Name Methyl 1-λ^{1}-Oxidanyl-2,2,5,5-Tetramethylpyrrolidin-3-Carboxylat
CAS 2154-32-7
Molekulargewicht (g/mol) 200.25
SMILES COC(=O)C1CC(C)(C)N([O])C1(C)C
Summenformel C10 H18 N O3
10

Myo-Inositol-Hexaacetat, TRC

CAS: 1254-38-2 Summenformel: C18 H24 O12 Molekulargewicht (g/mol): 432.38 IUPAC-Name: (2,3,4,5,6-Pentaacetyloxycyclohexyl) Acetat SMILES: CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C

IUPAC-Name (2,3,4,5,6-Pentaacetyloxycyclohexyl) Acetat
CAS 1254-38-2
Molekulargewicht (g/mol) 432.38
SMILES CC(=O)O[C@@H]1[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@H](OC(=O)C)[C@@H](OC(=O)C)[C@@H]1OC(=O)C
Summenformel C18 H24 O12
11

Fluorimid, TRC

CAS: 41205-21-4 Summenformel: C10 H4 Cl2 F N O2 Molekulargewicht (g/mol): 260.05 Synonym: 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione,2,3-Dichloro-N-(4-fluorophenyl)maleimide,2,3-Dichloro-N-(p-fluorophenyl)maleimide,Fluoroimide,Fluoromide,MK 23,N-(4-Fluorophenyl)-2,3-dichloromaleimide,N-(4-Fluorophenyl)dichloromaleimide,N-(p-Fluorophenyl)-2,3-dichloromaleimide,NSC 622384,Spartcide,Spat IUPAC-Name: 3,4-Dichlor-1-(4-Fluorophenyl)Pyrrol-2,5-Dion SMILES: Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl

IUPAC-Name 3,4-Dichlor-1-(4-Fluorophenyl)Pyrrol-2,5-Dion
CAS 41205-21-4
Molekulargewicht (g/mol) 260.05
SMILES Fc1ccc(cc1)N2C(=O)C(=C(Cl)C2=O)Cl
Synonym 3,4-Dichloro-1-(4-fluorophenyl)-1H-pyrrole-2,5-dione,2,3-Dichloro-N-(4-fluorophenyl)maleimide,2,3-Dichloro-N-(p-fluorophenyl)maleimide,Fluoroimide,Fluoromide,MK 23,N-(4-Fluorophenyl)-2,3-dichloromaleimide,N-(4-Fluorophenyl)dichloromaleimide,N-(p-Fluorophenyl)-2,3-dichloromaleimide,NSC 622384,Spartcide,Spat
Summenformel C10 H4 Cl2 F N O2
12

4-Bromo-(1-Oxyl-2,2,5,5-Tetramethyl-∆3-Pyrrolin-3-methyl) Methanethiosulfonat, TRC

CAS: 215956-55-1 Summenformel: C10 H17 Br N O3 S2 Molekulargewicht (g/mol): 343.28 IUPAC-Name: 3-Brom-1-λ^{1}-Oxidanyl-2,2,5,5-Tetramethyl-4-(Methylsulfonylsulfanylmethyl)Pyrrol SMILES: CC1(C)N([O])C(C)(C)C(=C1Br)CSS(=O)(=O)C

IUPAC-Name 3-Brom-1-λ^{1}-Oxidanyl-2,2,5,5-Tetramethyl-4-(Methylsulfonylsulfanylmethyl)Pyrrol
CAS 215956-55-1
Molekulargewicht (g/mol) 343.28
SMILES CC1(C)N([O])C(C)(C)C(=C1Br)CSS(=O)(=O)C
Summenformel C10 H17 Br N O3 S2
13

1-Oxyl-2,2,5,5-Tetramethylpyrrolin-3-Carboxylat-N-Hydroxysuccinimid-Ester, TRC

CAS: 37558-29-5 Summenformel: C13 H17 N2 O5 Molekulargewicht (g/mol): 281.28 IUPAC-Name: (2,5-Dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-Carboxylat SMILES: CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]

IUPAC-Name (2,5-Dioxopyrrolidin-1-yl) 1-λ^{1}-oxidanyl-2,2,5,5-tetramethylpyrrol-3-Carboxylat
CAS 37558-29-5
Molekulargewicht (g/mol) 281.28
SMILES CC1(C)C=C(C(=O)ON2C(=O)CCC2=O)C(C)(C)N1[O]
Summenformel C13 H17 N2 O5
14

5,5-Dimethyl-1-Pyrrolin N-Oxid, TRC

CAS: 3317-61-1 Summenformel: C6H11NO Molekulargewicht (g/mol): 113.16 Synonym: 2,2-Dimethyl-3,4-dihydro-2H-pyrrole N-Oxide,5,5-Dimethyl-1-pyrroline 1-Oxide,5,5-Dimethyl-4,5-dihydro-3H-pyrrole N-Oxide,5,5-Dimethyl-Δ1-pyrroline 1-Oxide,5,5-Dimethyl-Δ1-pyrroline N-Oxide,DMPO SMILES: CC1(C)CCC=[N+]1[O-]

CAS 3317-61-1
Molekulargewicht (g/mol) 113.16
SMILES CC1(C)CCC=[N+]1[O-]
Synonym 2,2-Dimethyl-3,4-dihydro-2H-pyrrole N-Oxide,5,5-Dimethyl-1-pyrroline 1-Oxide,5,5-Dimethyl-4,5-dihydro-3H-pyrrole N-Oxide,5,5-Dimethyl-Δ1-pyrroline 1-Oxide,5,5-Dimethyl-Δ1-pyrroline N-Oxide,DMPO
Summenformel C6H11NO
15

(1-Acetoxy-2,2,5,5-Tetramethyl-Delta-3-Pyrrolin-3-methyl) Methanethiosulfonat, TRC

CAS: 392718-69-3 Summenformel: C12H21NO4S2 Molekulargewicht (g/mol): 307.43 Synonym: (1-Acetoxy-2,2,5,5-Tetramethyl-D-3-Pyrroline-3-Methyl) Methanesulfonate IUPAC-Name: [2,2,5,5-Tetramethyl-3-(Methylsulfonothioyloxymethyl)Pyrrol-1-yl] Acetat SMILES: CC(=O)ON1C(C)(C)C=C(COS(=O)(=S)C)C1(C)C

IUPAC-Name [2,2,5,5-Tetramethyl-3-(Methylsulfonothioyloxymethyl)Pyrrol-1-yl] Acetat
CAS 392718-69-3
Molekulargewicht (g/mol) 307.43
SMILES CC(=O)ON1C(C)(C)C=C(COS(=O)(=S)C)C1(C)C
Synonym (1-Acetoxy-2,2,5,5-Tetramethyl-D-3-Pyrroline-3-Methyl) Methanesulfonate
Summenformel C12H21NO4S2