tert-butyl (1R,5S,6S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate

tert-butyl (1R,5S,6S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate

CAS: 871239-62-2

Formula: C11H16N2O2

SMILES: CC(C)(C)OC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2C#N

IUPAC: tert-butyl (1R,5S,6S)-6-cyano-3-azabicyclo[3.1.0]hexane-3-carboxylate

InChI: InChI=1S/C11H16N2O2/c1-11(2,3)15-10(14)13-5-8-7(4-12)9(8)6-13/h7-9H,5-6H2,1-3H3/t7-,8-,9+

Composition: C (63.44%), H (7.74%), N (13.45%), O (15.36%)

Molar Mass: 208.261

Atom Count: 31

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	3
Exact Mass	208.121177763
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	NQLPDUDIPJLXMZ-PSVAKVPMSA-N
Lipinski's Rule of Five	1
Molar Refractivity	54.99
Topological Polar Surface Area	53.33
Polarizability	21.31
Ring Count	2
Rotatable Bond Count	2

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Purity	LeadTime	CAS	PacketSize	UnitPrice
97%	<5 Days	871239-62-2		$177.80-$3,650.60$177.80$283.73$472.88$730.12$2,190.36$3,650.60