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tert-butyl N-(1-cyanocyclopropyl)carbamate

tert-butyl N-(1-cyanocyclopropyl)carbamate

CAS: 507264-68-8

Formula: C9H14N2O2

SMILES: CC(C)(C)OC(=O)NC1(CC1)C#N

IUPAC: tert-butyl N-(1-cyanocyclopropyl)carbamate

InChI: InChI=1S/C9H14N2O2/c1-8(2,3)13-7(12)11-9(6-10)4-5-9/h4-5H2,1-3H3,(H,11,12)

Composition: C (59.32%), H (7.74%), N (15.37%), O (17.56%)

Molar Mass: 182.223

Atom Count: 27

Heavy Atom Count: 13

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 182.105527699
Formal Charge 0
FSP3 0.78
Hetero Ring Count 0
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey RBTYXJDLTHWWTG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 47.11
Topological Polar Surface Area 62.12
Polarizability 18.37
Ring Count 1
Rotatable Bond Count 3

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