1-Methyl-3-methylene-2-pyrrolidinone

Base Information

• Chemical Name: 1-Methyl-3-methylene-2-pyrrolidinone
• CAS No.: 50586-05-5
• Molecular Formula: C6H9NO
• Molecular Weight: 111.14200
• DSSTox Substance ID: DTXSID40445597
• Nikkaji Number: J785.728D
• Wikidata: Q82264068
• Mol file: 50586-05-5.mol

Synonyms:50586-05-5;1-methyl-3-methylene-2-pyrrolidinone;1-Methyl-3-methylenepyrrolidin-2-one;1-METHYL-3-METHYLIDENEPYRROLIDIN-2-ONE;alpha-methylene-n-methylpyrrolidone;2-Pyrrolidinone, 1-methyl-3-methylene-;SCHEMBL232823;DTXSID40445597;AFXKUUDFKHVAGI-UHFFFAOYSA-N;EN300-7535939

Chemical Property of 1-Methyl-3-methylene-2-pyrrolidinone

Chemical Property:

• Boiling Point: 239.4±10.0 °C(Predicted)
• PKA: -0.88±0.20(Predicted)
• PSA: 20.31000
• Density: 1.02±0.1 g/cm3(Predicted)
• LogP: 0.34260
• XLogP3: 0.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 111.068413911
• Heavy Atom Count: 8
• Complexity: 140

Purity/Quality:

98%, ^*data from raw suppliers

1-Methyl-3-methylenepyrrolidin-2-one 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CN1CCC(=C)C1=O

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