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130868-98-3 | 2-Pyrrolidinone, 5-methyl-3-methylene-
CAS No: 130868-98-3 Catalog No: AG000V1R MDL No:
Product Description
Catalog Number:
AG000V1R
Chemical Name:
2-Pyrrolidinone, 5-methyl-3-methylene-
CAS Number:
130868-98-3
Molecular Formula:
C6H9NO
Molecular Weight:
111.1418
IUPAC Name:
5-methyl-3-methylidenepyrrolidin-2-one
InChI:
InChI=1S/C6H9NO/c1-4-3-5(2)7-6(4)8/h5H,1,3H2,2H3,(H,7,8)
InChI Key:
VDORPYPVQAFLTR-UHFFFAOYSA-N
SMILES:
CC1CC(=C)C(=O)N1
Properties
Complexity:
140
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
111.068g/mol
Formal Charge:
0
Heavy Atom Count:
8
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
111.144g/mol
Monoisotopic Mass:
111.068g/mol
Rotatable Bond Count:
0
Topological Polar Surface Area:
29.1A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.6
Literature
| Title | Journal |
|---|---|
| Novel synthesis, cytotoxic evaluation, and structure-activity relationship studies of a series of alpha-alkylidene-gamma-lactones and lactams. | Journal of medicinal chemistry 20050519 |
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