RefMet Compound Details

MW structure47734 (View MW Metabolite Database details)
RefMet name2-Acetylpyrrolidine
Systematic name1-(pyrrolidin-2-yl)ethan-1-one
SMILESCC(=O)C1CCCN1   Run Tanimoto similarity search (with similarity coefficient >=0.6)
Exact mass113.084064 (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
FormulaC6H11NOView other entries in RefMet with this formula
InChIInChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3
InChIKeyFYCFJMPASVKULQ-UHFFFAOYSA-NView other enantiomers/diastereomers of this metabolite in RefMet
Super ClassAlkaloids
Main ClassOrnithine alkaloids
Sub ClassPyrrolidine alkaloids
Pubchem CID550747
Annotation level1   (1:Known structure; 2:Known regiochemistry; 3:Partial structure; 4:Sum-composition)
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