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(-)-cotinine

Go to external page http://purl.obolibrary.org/obo/CHEBI_68641

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.

Term info

Label

(-)-cotinine

Synonyms
  • (5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one
database cross reference
Subsets

3_STAR

IUPAC NAME
(5S)-1-methyl-5-(pyridin-3-yl)pyrrolidin-2-one [ IUPAC ]

INN
cotinine [ ChemIDplus ]

INN
cotininum [ ChemIDplus ]

INN
cotinina [ ChemIDplus ]

charge

0

formula

C10H12N2O

has obo namespace

chebi_ontology

has related synonym

(S)-(-)-Cotinine, (S)-Cotinine, cotininum, cotinine, (S)-1-Methyl-5-(3-pyridinyl)-2-pyrrolidinone, cotinina

id

CHEBI:68641

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

mass

176.21510

monoisotopicmass

176.09496

smiles

[H][C@]1(CCC(=O)N1C)c1cccnc1