tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate

tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate

CAS: 1374658-94-2

Formula: C12H18N2O2

SMILES: CC(C)(C)OC(=O)N1CC2(CC(C2)C#N)C1

IUPAC: tert-butyl 6-cyano-2-azaspiro[3.3]heptane-2-carboxylate

InChI: InChI=1S/C12H18N2O2/c1-11(2,3)16-10(15)14-7-12(8-14)4-9(5-12)6-13/h9H,4-5,7-8H2,1-3H3

Composition: C (64.84%), H (8.16%), N (12.60%), O (14.39%)

Molar Mass: 222.288

Atom Count: 34

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	222.136827828
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	YVUMMKZOFGYPLS-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	59.36
Topological Polar Surface Area	53.33
Polarizability	23.14
Ring Count	2
Rotatable Bond Count	2

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