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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 00:23:07 UTC
Update Date2025-03-21 18:37:54 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID00117912
Frequency22.2
Structure
Chemical FormulaC10H12N2O
Molecular Mass176.095
SMILESNc1ccc(C2CCC(=O)N2)cc1
InChI KeyAHNRHYLMLVGCOC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass phenylpyrrolidines
Direct Parent phenylpyrrolidines
Geometric Descriptor aromatic heteromonocyclic compounds
Alternative Parents
  • amino acids and derivatives
  • azacyclic compounds
  • benzene and substituted derivatives
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • organic oxides
  • organopnictogen compounds
  • primary amines
  • pyrroles
  • pyrrolidine-2-ones
  • secondary carboxylic acid amides
    • Substituents
  • 2-pyrrolidone
  • monocyclic benzene moiety
  • carbonyl group
  • lactam
  • aromatic heteromonocyclic compound
  • amino acid or derivatives
  • carboxylic acid derivative
  • organic oxide
  • organonitrogen compound
  • organopnictogen compound
  • pyrrolidone
  • azacycle
  • 2-phenylpyrrolidine
  • carboxamide group
  • secondary carboxylic acid amide
  • organic oxygen compound
  • pyrrole
  • hydrocarbon derivative
  • benzenoid
  • primary amine
  • organic nitrogen compound
  • amine
  • organooxygen compound