RefMet Compound Details

MW structure53310 (View MW Metabolite Database details)
RefMet nameN-Methylpyrrolidin-2-one
Systematic name1-methylpyrrolidin-2-one
SMILESCN1CCCC1=O   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/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKeySECXISVLQFMRJM-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassOrnithine alkaloids
Sub ClassPyrrolidine alkaloids
Pubchem CID13387
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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