RefMet Compound Details

MW structure37989 (View MW Metabolite Database details)
RefMet name2-Pyrrolidinone
Systematic namepyrrolidin-2-one
SMILESC1CC(=O)NC1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass85.052764 (neutral)
Calculate m/z:   
View other RefMet entries with this exact (neutral) mass:   +/- 0.05 amu   +/- 0.1 amu   +/- 0.2 amu   +/- 0.5 amu
FormulaC4H7NOView other entries in RefMet with this formula
InChIInChI=1S/C4H7NO/c6-4-2-1-3-5-4/h1-3H2,(H,5,6)
InChIKeyHNJBEVLQSNELDL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPyrrolidones
Sub ClassPyrrolidones
Pubchem CID12025
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
  logo