1-benzylazepane-2,5-dione

1-benzylazepane-2,5-dione

CAS: 154195-30-9

Formula: C13H15NO2

SMILES: O=C1CCN(CC2=CC=CC=C2)C(=O)CC1

IUPAC: 1-benzylazepane-2,5-dione

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

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	0
Exact Mass	217.110278727
Formal Charge	0
FSP3	0.38
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	CTOCTUGUWVAJRP-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.46
Topological Polar Surface Area	37.38
Polarizability	23.77
Ring Count	2
Rotatable Bond Count	2

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