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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:26:36 UTC
Update Date2025-03-21 18:39:31 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00126074
Frequency20.3
Structure
Chemical FormulaC9H10N2O
Molecular Mass162.0793
SMILESO=C1CNC(c2cccnc2)C1
InChI KeyNJPRCRLVJRARKR-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
  • cyclic ketones
  • dialkylamines
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine-3-ones
  • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • aromatic heteromonocyclic compound
  • azacycle
  • 3-pyrrolidone
  • pyrrolidinylpyridine
  • heteroaromatic compound
  • cyclic ketone
  • secondary amine
  • ketone
  • organic oxide
  • organic oxygen compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • organic nitrogen compound
  • pyrrolidine
  • pyrrolidone
  • organooxygen compound
  • amine