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Home > Pyridines > 1820575-01-6
1820575-01-6 | N,1-dimethyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxamide, trans
CAS No: 1820575-01-6 Catalog No: AG01BGKC MDL No:
Product Description
Catalog Number:
AG01BGKC
Chemical Name:
N,1-dimethyl-5-oxo-2-(pyridin-3-yl)pyrrolidine-3-carboxamide, trans
CAS Number:
1820575-01-6
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
IUPAC Name:
(2R,3R)-N,1-dimethyl-5-oxo-2-pyridin-3-ylpyrrolidine-3-carboxamide
InChI:
InChI=1S/C12H15N3O2/c1-13-12(17)9-6-10(16)15(2)11(9)8-4-3-5-14-7-8/h3-5,7,9,11H,6H2,1-2H3,(H,13,17)/t9-,11+/m1/s1
InChI Key:
BLAXWDDNHIITSS-KOLCDFICSA-N
SMILES:
CNC(=O)[C@@H]1CC(=O)N([C@H]1c1cccnc1)C
Properties
Complexity:
319
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
2
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
62.3A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.8
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