tert-butyl 4-cyanoazepane-1-carboxylate

tert-butyl 4-cyanoazepane-1-carboxylate

CAS: 1259056-34-2

Formula: C12H20N2O2

SMILES: CC(C)(C)OC(=O)N1CCCC(CC1)C#N

IUPAC: tert-butyl 4-cyanoazepane-1-carboxylate

InChI: InChI=1/C12H20N2O2/c1-12(2,3)16-11(15)14-7-4-5-10(9-13)6-8-14/h10H,4-8H2,1-3H3

Composition: C (64.26%), H (8.99%), N (12.49%), O (14.27%)

Molar Mass: 224.304

Atom Count: 36

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	224.152477892
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	GWIFZKJNRMQRJU-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.65
Topological Polar Surface Area	53.33
Polarizability	23.86
Ring Count	1
Rotatable Bond Count	2

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