tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

CAS: 161157-50-2

Formula: C10H17NO3

SMILES: CC(C)(C)OC(=O)N1CCC2OC2C1

IUPAC: tert-butyl 7-oxa-3-azabicyclo[4.1.0]heptane-3-carboxylate

InChI: InChI=1/C10H17NO3/c1-10(2,3)14-9(12)11-5-4-7-8(6-11)13-7/h7-8H,4-6H2,1-3H3

Composition: C (60.28%), H (8.60%), N (7.03%), O (24.09%)

Molar Mass: 199.25

Atom Count: 31

Heavy Atom Count: 14

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	2
Exact Mass	199.120843411
Formal Charge	0
FSP3	0.9
Hetero Ring Count	2
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	MMPWHAJQEZIIEH-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	51
Topological Polar Surface Area	42.07
Polarizability	20.33
Ring Count	2
Rotatable Bond Count	2

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