chempirical

N-Boc-hexahydro-1H-azepin-4-one

C11H19NO3CAS 188975-88-4213.28 g/mol

Open in Covalent MOL file
OONO
CarbamateKetone

Properties

Molecular formula
C11H19NO3
Molar mass
213.28 g/mol
Exact mass
213.1365 Da
logP
1.98Crippen estimate
Polar surface area
46.6 Ų
H-bond donors / acceptors
0 / 3
Rotatable bonds
0

Identifiers

CAS number
188975-88-4
SMILES
CC(C)(C)OC(=O)N1CCCC(=O)CC1
InChIKey
PMLBUVZPRKXMOX-UHFFFAOYSA-N
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-7-4-5-9(13)6-8-12/h4-8H2,1-3H3

Weigh it out

Type any one amount. The others follow from the molar mass.

Work with N-Boc-hexahydro-1H-azepin-4-one

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

tert-Butyl 4-oxopiperidine-1-carboxylate79099-07-387 % similar 1,1-Dimethylethyl 1-pyrrolidinecarboxylate86953-79-971 % similar 3-Oxopyrrolidine-1-carboxylic acid tert-butyl ester101385-93-771 % similar 1,1-Dimethylethyl 1-piperidinecarboxylate75844-69-869 % similar 1,1-Dimethylethyl 9-oxo-3-azaspiro[5.5]undecane-3-carboxylate873924-08-465 % similar N-Boc-3-methylene-piperidine276872-89-063 % similar 1-Boc-4-methylenepiperidine159635-49-163 % similar tert-Butyl 3-oxoazetidine-1-carboxylate398489-26-459 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

tert-Butyl 6-hydroxy-2-azaspiro[3.3]heptane-2-carboxylate1147557-97-8 1-Boc-piperidine-3-carboxaldehyde118156-93-7 1-tert-Butoxycarbonyl-4-piperidinecarboxaldehyde137076-22-3 tert-Butyl 1-oxa-6-azaspiro(2.5)octane-6-carboxylate147804-30-6 tert-Butyl N-(4-oxocyclohexyl)carbamate179321-49-4 tert-Butyl 3-methyl-4-oxopiperidine-1-carboxylate181269-69-2 tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4 1,1-Dimethylethyl N-(3-oxocyclohexyl)carbamate885280-38-6

Elsewhere

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