n'-Hydroxymethylnorcotinine
Basic information
- CAS
157129-55-0- Standard SMILES
O=C1CC[C@@H](c2cccnc2)N1CO- InChIKey
GQUFOBHEPVFQMD-VIFPVBQESA-N- Molecular formula
- C10H12N2O2
- Average molar mass
- 192.21 g/mol
- Monoisotopic mass
- 192.08987763
Overview
N'-Hydroxymethylnorcotinine is a member of pyridines and a member of pyrrolidines.
Names & identifiers
- Preferred name
- n'-Hydroxymethylnorcotinine
- IUPAC
- (5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one
- English name
- 1-(hydroxymethyl)-5-pyridin-3-yl-pyrrolidin-2-one
- Molecular formula
- C10H12N2O2
- Molecular weight
- 192.21
Names & synonyms
n'-hydroxymethylnorcotinineN'-hydroxymethyl-norcotinine157129-55-0(5S)-1-(hydroxymethyl)-5-pyridin-3-ylpyrrolidin-2-one(5S)-1-(hydroxymethyl)-5-(pyridin-3-yl)pyrrolidin-2-one(5S)-1-(hydroxymethyl)-5-(3-pyridinyl)-2-PyrrolidinoneN-HydroxymethylnorcotinineN-(hydroxymethyl)-norcotinineCHEMBL35446211-(HYDROXYMETHYL)-5-PYRIDIN-3-YL-PYRROLIDIN-2-ONECHEBI:173526DTXSID801207736
Show more names
2-Pyrrolidinone, 1-(hydroxymethyl)-5-(3-pyridinyl)-, (5S)-
(S)-1-(hydroxymethyl)-5-(3-pyridinyl)-2-Pyrrolidinone
Database identifiers
- CAS
157129-55-0- PubChem CID
- 25201488
- DTXSID
DTXSID801207736- ChEMBL
CHEMBL3544621- ChEBI
CHEBI:173526- Nikkaji
- J585.653A
Properties
Computed structural properties
- XLogP
- -0.4
- Topological polar surface area
- 53.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 220
Experimental & physicochemical properties
Physical DescriptionSolid
Chemistry & industry
Pharmacology
Tissue LocationsKidney
Additional notes
DefinitionChEBI: N'-Hydroxymethylnorcotinine is a member of pyrrolidines and a member of pyridines.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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