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115687-29-1 | 3-Pyrrolidinecarboxamide, 1-(phenylmethyl)-
CAS No: 115687-29-1 Catalog No: AG000GR9 MDL No:MFCD06658994
Product Description
Catalog Number:
AG000GR9
Chemical Name:
3-Pyrrolidinecarboxamide, 1-(phenylmethyl)-
CAS Number:
115687-29-1
Molecular Formula:
C12H16N2O
Molecular Weight:
204.2682
MDL Number:
MFCD06658994
IUPAC Name:
1-benzylpyrrolidine-3-carboxamide
InChI:
InChI=1S/C12H16N2O/c13-12(15)11-6-7-14(9-11)8-10-4-2-1-3-5-10/h1-5,11H,6-9H2,(H2,13,15)
InChI Key:
HNAGHMKIPMKKBB-UHFFFAOYSA-N
SMILES:
NC(=O)C1CCN(C1)Cc1ccccc1
Properties
Complexity:
224
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
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:
1
Isotope Atom Count:
0
Molecular Weight:
204.273g/mol
Monoisotopic Mass:
204.126g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
46.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
0.8
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