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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:13 UTC
Update Date2025-03-21 18:37:26 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00115710
Frequency22.7
Structure
Chemical FormulaC9H8N2O2
Molecular Mass176.0586
SMILESO=C1CC(c2cccnc2)NC1=O
InChI KeyHMCWJSFDUGBWOM-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyridines and derivatives
Subclass pyrrolidinylpyridines
Direct Parent pyrrolidinylpyridines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carboxylic acids and derivatives
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • pyrrolidine-2-ones
  • pyrrolidine-3-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • 3-pyrrolidone
  • pyrrolidinylpyridine
  • cyclic ketone
  • carboxylic acid derivative
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • azacycle
  • heteroaromatic compound
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • organooxygen compound