tert-butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

tert-butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

CAS: 198835-04-0

Formula: C11H17NO3

SMILES: CC(C)(C)OC(=O)N1CC2CC1C(=O)C2

IUPAC: tert-butyl 6-oxo-2-azabicyclo[2.2.1]heptane-2-carboxylate

InChI: InChI=1/C11H17NO3/c1-11(2,3)15-10(14)12-6-7-4-8(12)9(13)5-7/h7-8H,4-6H2,1-3H3

Composition: C (62.54%), H (8.11%), N (6.63%), O (22.72%)

Molar Mass: 211.261

Atom Count: 32

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	211.120843411
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GMFUILAFZFPFJH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.7
Topological Polar Surface Area	46.61
Polarizability	21.55
Ring Count	2
Rotatable Bond Count	2

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