2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one

2-(pyridin-3-ylmethyl)-1-azabicyclo[2.2.2]octan-3-one

CAS: 273748-51-9

Formula: C13H16N2O

SMILES: O=C1C2CCN(CC2)C1CC1=CN=CC=C1

IUPAC: 2-[(pyridin-3-yl)methyl]-1-azabicyclo[2.2.2]octan-3-one

InChI: InChI=1/C13H16N2O/c16-13-11-3-6-15(7-4-11)12(13)8-10-2-1-5-14-9-10/h1-2,5,9,11-12H,3-4,6-8H2

Composition: C (72.19%), H (7.46%), N (12.95%), O (7.40%)

Molar Mass: 216.284

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	1
Asymmetric Atom Count	1
Exact Mass	216.126263143
Formal Charge	0
FSP3	0.54
Hetero Ring Count	3
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	RDZRUHBKCNPOPR-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	62.32
Topological Polar Surface Area	33.2
Polarizability	24.3
Ring Count	3
Rotatable Bond Count	2

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