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N-benzyl-2-oxocyclopentane-1-carboxamide

N-benzyl-2-oxocyclopentane-1-carboxamide

CAS: 2799-86-2

Formula: C13H15NO2

SMILES: O=C(NCC1=CC=CC=C1)C1CCCC1=O

IUPAC: N-benzyl-2-oxocyclopentane-1-carboxamide

InChI: InChI=1/C13H15NO2/c15-12-8-4-7-11(12)13(16)14-9-10-5-2-1-3-6-10/h1-3,5-6,11H,4,7-9H2,(H,14,16)

Composition: C (71.87%), H (6.96%), N (6.45%), O (14.73%)

Molar Mass: 217.268

Atom Count: 31

Heavy Atom Count: 16

Properties
Properties
Common Names N/A
Aromatic Ring Count 1
Asymmetric Atom Count 1
Exact Mass 217.110278727
Formal Charge 0
FSP3 0.38
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey JAVBITZFJGUZTL-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 61.27
Topological Polar Surface Area 46.17
Polarizability 23.77
Ring Count 2
Rotatable Bond Count 3

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