RefMet Compound Details

MW structure49849 (View MW Metabolite Database details)
RefMet nameMaleimide
Systematic namepyrrole-2,5-dione
SMILESC1=CC(=O)NC1=O   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass97.016379 (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
FormulaC4H3NO2View other entries in RefMet with this formula
InChIInChI=1S/C4H3NO2/c6-3-1-2-4(7)5-3/h1-2H,(H,5,6,7)
InChIKeyPEEHTFAAVSWFBL-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassOrganoheterocyclic compounds
Main ClassPyrrolidones
Sub ClassPyrrolidones
Pubchem CID10935
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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