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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:22:48 UTC
Update Date2025-03-21 18:37:46 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117154
Frequency22.4
Structure
Chemical FormulaC10H12N2O
Molecular Mass176.095
SMILESCN1CCC(=O)C1c1cccnc1
InChI KeyAITVUXPLZOKMQQ-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
  • aralkylamines
  • azacyclic compounds
  • cyclic ketones
  • heteroaromatic compounds
  • hydrocarbon derivatives
  • methylpyridines
  • n-alkylpyrrolidines
  • organic oxides
  • organopnictogen compounds
  • pyrrolidine-3-ones
  • trialkylamines
    • Substituents
  • carbonyl group
  • aromatic heteromonocyclic compound
  • 3-pyrrolidone
  • pyrrolidinylpyridine
  • cyclic ketone
  • aralkylamine
  • ketone
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidine
  • pyrrolidone
  • 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