tert-butyl 3-methyl-4-oxoazepane-1-carboxylate

tert-butyl 3-methyl-4-oxoazepane-1-carboxylate

CAS: 1422424-71-2

Formula: C12H21NO3

SMILES: CC1CN(CCCC1=O)C(=O)OC(C)(C)C

IUPAC: tert-butyl 3-methyl-4-oxoazepane-1-carboxylate

InChI: InChI=1/C12H21NO3/c1-9-8-13(7-5-6-10(9)14)11(15)16-12(2,3)4/h9H,5-8H2,1-4H3

Composition: C (63.41%), H (9.31%), N (6.16%), O (21.12%)

Molar Mass: 227.304

Atom Count: 37

Heavy Atom Count: 16

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	1
Exact Mass	227.15214354
Formal Charge	0
FSP3	0.83
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	QRQPVZMYCPKCSY-UHFFFAOYNA-N
Lipinski's Rule of Five	1
Molar Refractivity	61.49
Topological Polar Surface Area	46.61
Polarizability	24.1
Ring Count	1
Rotatable Bond Count	2

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