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116774-46-0 | 2-Pyrrolidinecarboxamide, N-(phenylmethyl)-, (2S)-
CAS No: 116774-46-0 Catalog No: AG000D7A MDL No:
Product Description
Catalog Number:
AG000D7A
Chemical Name:
2-Pyrrolidinecarboxamide, N-(phenylmethyl)-, (2S)-
CAS Number:
116774-46-0
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
IUPAC Name:
(2S)-N-benzylpyrrolidine-2-carboxamide
InChI:
InChI=1S/C12H16N2O/c15-12(11-7-4-8-13-11)14-9-10-5-2-1-3-6-10/h1-3,5-6,11,13H,4,7-9H2,(H,14,15)/t11-/m0/s1
InChI Key:
WOXWRWOEURENTO-NSHDSACASA-N
SMILES:
O=C([C@@H]1CCCN1)NCc1ccccc1
Properties
Complexity:
212
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
1
Defined Bond Stereocenter Count:
0
Exact Mass:
204.126g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
41.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.2
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