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tert-butyl 3-oxo-1,4-diazepane-1-carboxylate

tert-butyl 3-oxo-1,4-diazepane-1-carboxylate

CAS: 179686-38-5

Formula: C10H18N2O3

SMILES: CC(C)(C)OC(=O)N1CCCNC(=O)C1

IUPAC: tert-butyl 3-oxo-1,4-diazepane-1-carboxylate

InChI: InChI=1S/C10H18N2O3/c1-10(2,3)15-9(14)12-6-4-5-11-8(13)7-12/h4-7H2,1-3H3,(H,11,13)

Composition: C (56.06%), H (8.47%), N (13.07%), O (22.40%)

Molar Mass: 214.265

Atom Count: 33

Heavy Atom Count: 15

Properties
Properties
Common Names N/A
Aromatic Ring Count 0
Asymmetric Atom Count 0
Exact Mass 214.131742448
Formal Charge 0
FSP3 0.8
Hetero Ring Count 1
Hydrogen Bond Acceptor Count 2
Hydrogen Bond Donor Count 1
InChIKey ITRUBUQWGNAYGG-UHFFFAOYSA-N
Lipinski's Rule of Five 1
Molar Refractivity 55.39
Topological Polar Surface Area 58.64
Polarizability 21.59
Ring Count 1
Rotatable Bond Count 2

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