RefMet Compound Details

MW structure41518 (View MW Metabolite Database details)
RefMet name2-Piperidinone
Systematic namepiperidin-2-one
SMILESC1CCNC(=O)C1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass99.068414 (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
FormulaC5H9NOView other entries in RefMet with this formula
InChIInChI=1S/C5H9NO/c7-5-3-1-2-4-6-5/h1-4H2,(H,6,7)
InChIKeyXUWHAWMETYGRKB-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPiperidinones
Sub ClassPiperidinones
Pubchem CID12665
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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