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tert-butyl (1R,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

tert-butyl (1R,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

CAS: 856900-26-0

Formula: C13H20N2O2

SMILES: CC(C)(C)OC(=O)N1[C@H]2CC[C@@H]1CC(C2)C#N

IUPAC: tert-butyl (1R,5S)-3-cyano-8-azabicyclo[3.2.1]octane-8-carboxylate

InChI: InChI=1S/C13H20N2O2/c1-13(2,3)17-12(16)15-10-4-5-11(15)7-9(6-10)8-14/h9-11H,4-7H2,1-3H3/t9?,10-,11+

Composition: C (66.07%), H (8.53%), N (11.85%), O (13.54%)

Molar Mass: 236.315

Atom Count: 37

Heavy Atom Count: 17

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 3
Exact Mass 236.152477892
Formal Charge 0
FSP3 0.85
Hetero Ring Count 2
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 0
InChIKey UVURMTGIVKSLEM-FGWVZKOKSA-N
Lipinski's Rule of Five 1
Molar Refractivity 63.93
Topological Polar Surface Area 53.33
Polarizability 24.98
Ring Count 2
Rotatable Bond Count 2

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