(-)-cotinineImported
An N-alkylpyrrolidine that consists of N-methylpyrrolidinone bearing a pyridin-3-yl substituent at position C-5 (the 5S-enantiomer). It is an alkaloid commonly found in Nicotiana tabacum.
Defined bychebi
Exact Synonyms
(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
Related Synonyms
(S)-(-)-Cotinine
(S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone
(S)-Cotinine
cotinina
cotinine
cotininum
class Information
charge
0
formula
C10H12N2O
has_dbxref
- CAS:486-56-6
- Drug_Central:737
- HMDB:HMDB0001046
- KNApSAcK:C00034470
- LINCS:LSM-5986
- MetaCyc:CPD-2742
- PMID:14700346
- PMID:21655912
- PMID:21953524
- PMID:22027507
- PMID:22137886
- PMID:22169225
- PMID:22180597
- PMID:22200307
- PMID:22244928
- PMID:22253001
- PMID:22434216
- PMID:22460317
- PMID:22487419
- PMID:22489581
- PMID:22574797
- PMID:22608097
- PMID:22678157
- PMID:22687995
- PMID:22770225
- PMID:22809871
- PMID:22871902
- PMID:22878732
- PMID:22899265
- PMID:22919158
- PMID:23000417
- PMID:23011941
- PMID:23087643
- Reaxys:5736575
- Reaxys:83099
- Wikipedia:Cotinine
has_obo_namespace
chebi_ontology
inchi
InChI=1S/C10H12N2O/c1-12-9(4-5-10(12)13)8-3-2-6-11-7-8/h2-3,6-7,9H,4-5H2,1H3/t9-/m0/s1
inchikey
UIKROCXWUNQSPJ-VIFPVBQESA-N
in_subset
mass
176.21510
monoisotopicmass
176.09496
smiles
[H][C@]1(CCC(=O)N1C)c1cccnc1