tert-butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate

tert-butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate

CAS: 887594-13-0

Formula: C11H16N2O3

SMILES: CC(C)(C)OC(=O)N1CC(C1)C(=O)CC#N

IUPAC: tert-butyl 3-(2-cyanoacetyl)azetidine-1-carboxylate

InChI: InChI=1S/C11H16N2O3/c1-11(2,3)16-10(15)13-6-8(7-13)9(14)4-5-12/h8H,4,6-7H2,1-3H3

Composition: C (58.91%), H (7.19%), N (12.49%), O (21.40%)

Molar Mass: 224.26

Atom Count: 32

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	224.116092383
Formal Charge	0
FSP3	0.73
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	3
Hydrogen Bond Donor Count	0
InChIKey	MWQMPWWBTIXHQH-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	57.43
Topological Polar Surface Area	70.4
Polarizability	22.15
Ring Count	1
Rotatable Bond Count	4

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