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Home > Pyridines > 125630-28-6
125630-28-6 | 2-Pyrrolidinone, 1-methyl-3-(3-pyridinylcarbonyl)-
CAS No: 125630-28-6 Catalog No: AG000NZF MDL No:
Product Description
Catalog Number:
AG000NZF
Chemical Name:
2-Pyrrolidinone, 1-methyl-3-(3-pyridinylcarbonyl)-
CAS Number:
125630-28-6
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
IUPAC Name:
1-methyl-3-(pyridine-3-carbonyl)pyrrolidin-2-one
InChI:
InChI=1S/C11H12N2O2/c1-13-6-4-9(11(13)15)10(14)8-3-2-5-12-7-8/h2-3,5,7,9H,4,6H2,1H3
InChI Key:
SCVLPUZALILIEN-UHFFFAOYSA-N
SMILES:
O=C1N(C)CCC1C(=O)c1cccnc1
Properties
Complexity:
278
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
50.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
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