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Record Information
HMDB StatusNot Available
Creation Date2024-02-21 09:25:39 UTC
Update Date2025-03-24 20:19:09 UTC
HMDB IDNot Available
Metabolite Identification
DeepMet IDDMID01408480
Frequency0.9
Structure
Chemical FormulaC4H8N2O
Molecular Mass100.0637
SMILESNC1NCCC1=O
InChI KeyFFVZRAAOQFUUFL-UHFFFAOYSA-N
Chemical Taxonomy
Kingdomorganic compounds
Superclassorganoheterocyclic compounds
Classpyrrolidines
Subclass pyrrolidones
Direct Parent pyrrolidine-3-ones
Geometric Descriptor aliphatic heteromonocyclic compounds
Alternative Parents
  • azacyclic compounds
  • cyclic ketones
  • dialkylamines
  • hydrocarbon derivatives
  • monoalkylamines
  • organic oxides
  • organopnictogen compounds
    • Substituents
  • secondary aliphatic amine
  • carbonyl group
  • azacycle
  • 3-pyrrolidone
  • cyclic ketone
  • secondary amine
  • ketone
  • organic oxide
  • organic oxygen compound
  • aliphatic heteromonocyclic compound
  • organonitrogen compound
  • organopnictogen compound
  • hydrocarbon derivative
  • primary aliphatic amine
  • organic nitrogen compound
  • organooxygen compound
  • amine