tert-butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate

tert-butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate

CAS: 1174006-82-6

Formula: C13H20N2O2

SMILES: CC(C)(C)OC(=O)N1CCC2(CC2C#N)CC1

IUPAC: tert-butyl 1-cyano-6-azaspiro[2.5]octane-6-carboxylate

InChI: InChI=1/C13H20N2O2/c1-12(2,3)17-11(16)15-6-4-13(5-7-15)8-10(13)9-14/h10H,4-8H2,1-3H3

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	1
Exact Mass	236.152477892
Formal Charge	0
FSP3	0.85
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MYXLXKKWRQMPOP-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	64.27
Topological Polar Surface Area	53.33
Polarizability	24.98
Ring Count	2
Rotatable Bond Count	2

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