EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:30734 - nicotine N1'-oxide

ChEBI IDCHEBI:30734
ChEBI Namenicotine N1'-oxide
Stars
ASCII Namenicotine N(1')-oxide
DefinitionA tertiary amine oxide resulting from the oxidation of the pyrrolidine nitrogen of nicotine.
Last Modified7 December 2018
SubmitterMarcus Ennis
DownloadsMolfile
FormulaC10H14N2O
Net Charge0
Average Mass178.235
Monoisotopic Mass178.11061
SMILESC[N+]1([O-])CCCC1c1cccnc1
InChIInChI=1S/C10H14N2O/c1-12(13)7-3-5-10(12)9-4-2-6-11-8-9/h2,4,6,8,10H,3,5,7H2,1H3
InChIKeyRWFBQHICRCUQJJ-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
nicotine N1'-oxide (CHEBI:30734) has parent hydride nicotine (CHEBI:18723)
nicotine N1'-oxide (CHEBI:30734) is a pyridines (CHEBI:26421)
nicotine N1'-oxide (CHEBI:30734) is a pyrrolidine N-oxides (CHEBI:46772)
Incoming Relation(s)
(S)-nicotine N1'-oxide (CHEBI:142659) is a nicotine N1'-oxide (CHEBI:30734)
IUPAC Name 
1-methyl-2-(3-pyridyl)pyrrolidine 1-oxide
Synonyms  Source
3-(1-methyl-1-oxidopyrrolidin-2-yl)pyridineChEBI
Nicotine 1-N-oxideChemIDplus
Nicotine-1'-N-oxideChemIDplus
1-methyl-2-(3-pyridyl)-2,3,4,5-tetrahydropyrrol-1-olateChEBI
Registry NumbersSources
CAS:63551-14-4ChemIDplus