Metabolomics Structure Database

MDLMOL SDF CSV TSV

MW REGNO:	53310
Common Name:	N-methylpyrrolidin-2-one
Systematic Name:	1-methylpyrrolidin-2-one
RefMet Name:	N-Methylpyrrolidin-2-one
Synonyms:	1-Methyl-2-pyrrolidinone; 1-methylazacyclopentan-2-one; N-Methyl-2-pyrrolidinone; N-methyl-alpha-pyrrolidinone; N-methyl-alpha-pyrrolidone; N-methyl-gamma-butyrolactam; NMP [PubChem Synonyms]
Exact Mass:	99.0684 (neutral)    Calculate m/z: (Choose adduct) [M+H]+ [M+H-H2O]+ [M.]+ [M+2H]2+ [M+3H]3+ [M+4H]4+ [M+K]+ [M+2K]2+ [M-H+2K]+ [M+Na]+ [M+2Na]2+ [M-H+2Na]+ [M+Li]+ [M+2Li]2+ [M+NH4]+ [M-H]- [M-2H]2- [M-3H]3- [M-4H]4- [M+Cl]- [M+OAc]- [M+HCOO]- M(neutral)
Formula:	C5H9NO
InChIKey:	SECXISVLQFMRJM-UHFFFAOYSA-N
ClassyFire superclass:	Organoheterocyclic compounds [C0000002]
ClassyFire class:	Pyrrolidines [C0000218]
ClassyFire subclass:	N-alkylpyrrolidines [C0003449]
ClassyFire direct parent:	N-alkylpyrrolidines [C0003449]
MoNA MS spectra:	View MS spectra
SMILES:	CN1CCCC1=O
Studies:	Available studies (via RefMet name)

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All Database Links Calculated Properties Human Pathways

External database links:

PubChem CID:	13387
CHEBI ID:	7307
KEGG ID:	C11118
Plant Metabolite Hub(Pmhub):	MS000006732

References

LIPID MAPS classification: "Update of the LIPID MAPS comprehensive classification system for lipids", Fahy E, Subramaniam S, Murphy RC, Nishijima M, Raetz CR, Shimizu T, Spener F, van Meer G, Wakelam MJ, and Dennis EA, J. Lipid Res. (2009) 50: S9-S14. DOI: 10.1194/jlr.R800095-JLR200
ClassyFire classification: "ClassyFire: automated chemical classification with a comprehensive, computable taxonomy", Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS, J. Cheminformatics (2016) 8:61. DOI: 10.1186/s13321-016-0174-y