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114020-02-9 | 2H-Pyrrol-2-one, 1,5-dihydro-3-methyl-1-(5-oxo-2-pyrrolidinyl)-
CAS No: 114020-02-9 Catalog No: AG000AB3 MDL No:
Product Description
Catalog Number:
AG000AB3
Chemical Name:
2H-Pyrrol-2-one, 1,5-dihydro-3-methyl-1-(5-oxo-2-pyrrolidinyl)-
CAS Number:
114020-02-9
Molecular Formula:
C9H12N2O2
Molecular Weight:
180.2038
IUPAC Name:
4-methyl-1-(5-oxopyrrolidin-2-yl)-2H-pyrrol-5-one
InChI:
InChI=1S/C9H12N2O2/c1-6-4-5-11(9(6)13)7-2-3-8(12)10-7/h4,7H,2-3,5H2,1H3,(H,10,12)
InChI Key:
WLCCALNVGXBVEU-UHFFFAOYSA-N
SMILES:
O=C1CCC(N1)N1CC=C(C1=O)C
Properties
Complexity:
296
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
180.09g/mol
Formal Charge:
0
Heavy Atom Count:
13
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
180.207g/mol
Monoisotopic Mass:
180.09g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.3
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