CHEBI:30734 - nicotine N^1'-oxide

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ChEBI Name nicotine N1'-oxide ChEBI ID CHEBI:30734 ChEBI ASCII Name nicotine N(1')-oxide Definition A tertiary amine oxide resulting from the oxidation of the pyrrolidine nitrogen of nicotine. Stars This entity has been manually annotated by the ChEBI Team. Supplier Information Download Molfile XML SDF Find compounds which contain this structure Find compounds which resemble this structure Take structure to the Advanced Search Formula C10H14N2O Net Charge 0 Average Mass 178.231 Monoisotopic Mass 178.11061 InChI InChI=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 InChIKey RWFBQHICRCUQJJ-UHFFFAOYSA-N SMILES C=1(C=NC=CC1)C2[N+](CCC2)([O-])C ChEBI Ontology Outgoing 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 (S)-nicotine N1'-oxide (CHEBI:142659) is a nicotine N1'-oxide (CHEBI:30734) IUPAC Name 1-methyl-2-(3-pyridyl)pyrrolidine 1-oxide Synonyms Sources 1-methyl-2-(3-pyridyl)-2,3,4,5-tetrahydropyrrol-1-olate ChEBI 3-(1-methyl-1-oxidopyrrolidin-2-yl)pyridine ChEBI Nicotine 1-N-oxide ChemIDplus Nicotine-1'-N-oxide ChemIDplus Registry Number Type Source 63551-14-4 CAS Registry Number ChemIDplus Last Modified 07 December 2018