EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:132572 - (S)-nicotine 1-N-oxide

ChEBI IDCHEBI:132572
ChEBI Name(S)-nicotine 1-N-oxide
Stars
ASCII Name(S)-nicotine 1-N-oxide
DefinitionA member of the class of pyridine N-oxides obtained by oxidation of the pyridine nitrogen of (S)-nicotine.
Last Modified15 July 2016
SubmitterSteve
DownloadsMolfile
FormulaC10H14N2O
Net Charge0
Average Mass178.235
Monoisotopic Mass178.11061
SMILES[H][C@@]1(c2ccc[n+]([O-])c2)CCCN1C
InChIInChI=1S/C10H14N2O/c1-11-6-3-5-10(11)9-4-2-7-12(13)8-9/h2,4,7-8,10H,3,5-6H2,1H3/t10-/m0/s1
InChIKeyYHXKVHQFWVYXIC-JTQLQIEISA-N
Roles Classification
Chemical Role:
Bronsted base  A molecular entity capable of accepting a hydron from a donor (Brønsted acid).
ChEBI Ontology
Outgoing Relation(s)
(S)-nicotine 1-N-oxide (CHEBI:132572) has functional parent (S)-nicotine (CHEBI:17688)
(S)-nicotine 1-N-oxide (CHEBI:132572) is a N-alkylpyrrolidine (CHEBI:46775)
(S)-nicotine 1-N-oxide (CHEBI:132572) is a pyridine N-oxides (CHEBI:38189)
IUPAC Name 
3-[(2S)-1-methylpyrrolidin-2-yl]-1-oxo-1λ5-pyridine
Synonyms  Source
nicotine N-oxideChEBI
Nicotine, 1-oxideChemIDplus
(S)-3-(1-Methyl-2-pyrrolidinyl)pyridine 1-oxideChemIDplus
Nicotine 1-N-oxideChemIDplus
(S)-nicotine N-oxideChEBI
Registry NumbersSources
Beilstein:4673416Beilstein
Reaxys:7917Reaxys
Reaxys:957799Reaxys
CAS:2820-55-5ChemIDplus
CAS:2820-55-5NIST Chemistry WebBook