1-benzyl-1,4-diazepan-5-one

1-benzyl-1,4-diazepan-5-one

CAS: 55186-89-5

Formula: C12H16N2O

SMILES: O=C1CCN(CC2=CC=CC=C2)CCN1

IUPAC: 1-benzyl-1,4-diazepan-5-one

InChI: InChI=1S/C12H16N2O/c15-12-6-8-14(9-7-13-12)10-11-4-2-1-3-5-11/h1-5H,6-10H2,(H,13,15)

Composition: C (70.56%), H (7.90%), N (13.71%), O (7.83%)

Molar Mass: 204.273

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	0
Exact Mass	204.126263143
Formal Charge	0
FSP3	0.42
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
InChIKey	DKNOPZCYIDBMNY-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	60.13
Topological Polar Surface Area	32.34
Polarizability	23.38
Ring Count	2
Rotatable Bond Count	2

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