tert-butyl 3-oxoazepane-1-carboxylate

tert-butyl 3-oxoazepane-1-carboxylate

CAS: 870842-23-2

Formula: C11H19NO3

SMILES: CC(C)(C)OC(=O)N1CCCCC(=O)C1

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

InChI: InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-5-4-6-9(13)8-12/h4-8H2,1-3H3

Composition: C (61.95%), H (8.98%), N (6.57%), O (22.50%)

Molar Mass: 213.277

Atom Count: 34

Heavy Atom Count: 15

Properties

Properties

Common Names	N/A
Aromatic Ring Count	0
Asymmetric Atom Count	0
Exact Mass	213.136493476
Formal Charge	0
FSP3	0.82
Hetero Ring Count	1
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	0
InChIKey	HMWANNJNYUPZPN-UHFFFAOYSA-N
Lipinski's Rule of Five	1
Molar Refractivity	56.82
Topological Polar Surface Area	46.61
Polarizability	22.26
Ring Count	1
Rotatable Bond Count	2

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