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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 14:39:44 UTC
Update Date2025-03-25 00:46:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID02155241
Frequency0.5
Structure
Chemical FormulaC12H16N2O
Molecular Mass204.1263
SMILESCC(=O)C1(c2cccnc2)CCCN1C
InChI KeyHKCWZFBPGBGDAV-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • alkaloids and derivatives
  • alpha-amino ketones
  • aralkylamines
  • azacyclic compounds
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • trialkylamines
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • pyrrolidinylpyridine
  • aralkylamine
  • ketone
  • organic oxide
  • alpha-aminoketone
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • tertiary amine
  • azacycle
  • n-alkylpyrrolidine
  • heteroaromatic compound
  • tertiary aliphatic amine
  • methylpyridine
  • alkaloid or derivatives
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • amine
  • organooxygen compound