tert-butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

tert-butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

CAS: 617714-22-4

Formula: C12H19NO3

SMILES: CC(C)(C)OC(=O)N1CC2CCC1CC2=O

IUPAC: tert-butyl 5-oxo-2-azabicyclo[2.2.2]octane-2-carboxylate

InChI: InChI=1/C12H19NO3/c1-12(2,3)16-11(15)13-7-8-4-5-9(13)6-10(8)14/h8-9H,4-7H2,1-3H3

Composition: C (63.98%), H (8.50%), N (6.22%), O (21.30%)

Molar Mass: 225.288

Atom Count: 35

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	225.136493476
Formal Charge	0
FSP3	0.83
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	AUKQEIHIPOHGHN-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.28
Topological Polar Surface Area	46.61
Polarizability	23.38
Ring Count	2
Rotatable Bond Count	2

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