benzyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

benzyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS: 1159825-53-2

Formula: C16H18N2O2

SMILES: O=C(OCC1=CC=CC=C1)N1C2CCC1CC(C2)C#N

IUPAC: benzyl 3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI: InChI=1/C16H18N2O2/c17-10-13-8-14-6-7-15(9-13)18(14)16(19)20-11-12-4-2-1-3-5-12/h1-5,13-15H,6-9,11H2

Composition: C (71.09%), H (6.71%), N (10.36%), O (11.84%)

Molar Mass: 270.332

Atom Count: 38

Heavy Atom Count: 20

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	2
Exact Mass	270.136827828
Formal Charge	0
FSP3	0.5
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	ZAGQLJCLLMBJEN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	74.74
Topological Polar Surface Area	53.33
Polarizability	29.03
Ring Count	3
Rotatable Bond Count	3

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