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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 06:47:38 UTC
Update Date2025-03-24 17:58:22 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01028475
Frequency1.4
Structure
Chemical FormulaC6H12N2O2
Molecular Mass144.0899
SMILESCN1CC(O)(CN)CC1=O
InChI KeyBLOLNRNFNPZADC-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-2-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • carbonyl compounds
  • carboxylic acids and derivatives
  • hydrocarbon derivatives
  • lactams
  • monoalkylamines
  • n-alkylpyrrolidines
  • organic oxides
  • organonitrogen compounds
  • organopnictogen compounds
  • tertiary alcohols
  • tertiary carboxylic acid amides
    • Substituents
  • alcohol
  • 2-pyrrolidone
  • carbonyl group
  • lactam
  • azacycle
  • n-alkylpyrrolidine
  • carboxamide group
  • carboxylic acid derivative
  • tertiary alcohol
  • organic oxide
  • organic oxygen compound
  • tertiary carboxylic acid amide
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound