MB3

1-methylpyrrolidin-2-one

Created:	2010-03-30
Last modified:	2011-06-04

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13 entries where MB3 is found as a standalone ligand

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Chemical Details
Formal Charge	0
Atom Count	16
Chiral Atom Count	0
Bond Count	16
Aromatic Bond Count	0

2D diagram of MB3

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Chemical Component Summary
Name	1-methylpyrrolidin-2-one
Systematic Name (OpenEye OEToolkits)	1-methylpyrrolidin-2-one
Formula	C₅ H₉ N O
Molecular Weight	99.131
Type	NON-POLYMER

Chemical Descriptors
Type	Program	Version	Descriptor
SMILES	ACDLabs	12.01	O=C1N(C)CCC1
SMILES	CACTVS	3.370	CN1CCCC1=O
SMILES	OpenEye OEToolkits	1.7.0	CN1CCCC1=O
Canonical SMILES	CACTVS	3.370	CN1CCCC1=O
Canonical SMILES	OpenEye OEToolkits	1.7.0	CN1CCCC1=O
InChI	InChI	1.03	InChI=1S/C5H9NO/c1-6-4-2-3-5(6)7/h2-4H2,1H3
InChIKey	InChI	1.03	SECXISVLQFMRJM-UHFFFAOYSA-N

Drug Info: DrugBank

DrugBank ID	DB12521
Name	Methyl pyrrolidone
Groups	investigational
Description	N Methyl Pyrrolidone is under investigation for the treatment of Multiple Myeloma.
Synonyms	1-methyl-2-pyrrolidone Methyl pyrrolidone N-methylpyrrolidone 1-methylpyrrolidinone 1-methyl-2-pyrrolidinone N-methyl-pyrrolidone N-methyl-2-pyrrolidone Methylpyrrolidone NMP 1-methyl-5-pyrrolidinone
Categories	Noxae Polymers Pyrrolidines Teratogens Toxic Actions
CAS number	872-50-4

Related Resource References

Resource Name	Reference
PubChem	13387
ChEMBL	CHEMBL12543
ChEBI	CHEBI:7307
CCDC/CSD	CUJZOX, DEKJOU, BIFHUV, CAGVOY, AQOVAF, COVYUJ, AFUNIB, AJEGAZ, BEVXAD, DUDPEX, BUTJIM, APIWAY, COFBUU10, BUGSAA, ANIKEQ, AREDUZ
COD	4111271, 2101650

RCSB PDB Core Operations are funded by the U.S. National Science Foundation (DBI-2321666), the US Department of Energy (DE-SC0019749), and the National Cancer Institute, National Institute of Allergy and Infectious Diseases, and National Institute of General Medical Sciences of the National Institutes of Health under grant R01GM157729.