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114020-01-8 | 2H-Pyrrol-2-one, 1,5-dihydro-3-methyl-1-(4-methyl-5-oxo-2-pyrrolidinyl)-
CAS No: 114020-01-8 Catalog No: AG000AB4 MDL No:
Product Description
Catalog Number:
AG000AB4
Chemical Name:
2H-Pyrrol-2-one, 1,5-dihydro-3-methyl-1-(4-methyl-5-oxo-2-pyrrolidinyl)-
CAS Number:
114020-01-8
Molecular Formula:
C10H14N2O2
Molecular Weight:
194.2304
IUPAC Name:
4-methyl-1-(4-methyl-5-oxopyrrolidin-2-yl)-2H-pyrrol-5-one
InChI:
InChI=1S/C10H14N2O2/c1-6-3-4-12(10(6)14)8-5-7(2)9(13)11-8/h3,7-8H,4-5H2,1-2H3,(H,11,13)
InChI Key:
ASTXJGGHDAJLLS-UHFFFAOYSA-N
SMILES:
O=C1NC(CC1C)N1CC=C(C1=O)C
NSC Number:
624950
Properties
Complexity:
322
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
194.106g/mol
Formal Charge:
0
Heavy Atom Count:
14
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
194.234g/mol
Monoisotopic Mass:
194.106g/mol
Rotatable Bond Count:
1
Topological Polar Surface Area:
49.4A^2
Undefined Atom Stereocenter Count:
2
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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