9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

CAS: 81514-40-1

Formula: C14H17NO2

SMILES: O=C1CC2COCC(C1)N2CC1=CC=CC=C1

IUPAC: 9-benzyl-3-oxa-9-azabicyclo[3.3.1]nonan-7-one

InChI: InChI=1/C14H17NO2/c16-14-6-12-9-17-10-13(7-14)15(12)8-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

Composition: C (72.70%), H (7.41%), N (6.06%), O (13.83%)

Molar Mass: 231.295

Atom Count: 34

Heavy Atom Count: 17

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	231.125928791
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	QNGMGMDGAYWQHD-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	65.49
Topological Polar Surface Area	29.54
Polarizability	25.89
Ring Count	3
Rotatable Bond Count	2

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