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116041-19-1 | 3-Pyrrolidinecarboxamide, 5-oxo-1-(phenylmethyl)-
CAS No: 116041-19-1 Catalog No: AG000BFU MDL No:MFCD00173111
Product Description
Catalog Number:
AG000BFU
Chemical Name:
3-Pyrrolidinecarboxamide, 5-oxo-1-(phenylmethyl)-
CAS Number:
116041-19-1
Molecular Formula:
C12H14N2O2
Molecular Weight:
218.2518
MDL Number:
MFCD00173111
IUPAC Name:
1-benzyl-5-oxopyrrolidine-3-carboxamide
InChI:
InChI=1S/C12H14N2O2/c13-12(16)10-6-11(15)14(8-10)7-9-4-2-1-3-5-9/h1-5,10H,6-8H2,(H2,13,16)
InChI Key:
GXFFGHGZXQWFHG-UHFFFAOYSA-N
SMILES:
NC(=O)C1CN(C(=O)C1)Cc1ccccc1
Properties
Complexity:
285
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.106g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
2
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.256g/mol
Monoisotopic Mass:
218.106g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
63.4A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
-0.2
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