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tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

CAS: 637301-19-0

Formula: C12H19NO3

SMILES: CC(C)(C)OC(=O)N1CC2CCC(C1)C2=O

IUPAC: tert-butyl 8-oxo-3-azabicyclo[3.2.1]octane-3-carboxylate

InChI: InChI=1/C12H19NO3/c1-12(2,3)16-11(15)13-6-8-4-5-9(7-13)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 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey ZORCNALJSKPJDE-UHFFFAOYNA-N
Lipinski's Rule of Five 1
Molar Refractivity 59.51
Topological Polar Surface Area 46.61
Polarizability 23.38
Ring Count 2
Rotatable Bond Count 2

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