chempirical

tert-Butyl N-(4-oxocyclohexyl)carbamate

C11H19NO3CAS 179321-49-4213.28 g/mol

Open in Covalent MOL file
OOHNO
CarbamateKetone

Properties

Molecular formula
C11H19NO3
Molar mass
213.28 g/mol
Exact mass
213.1365 Da
logP
2.02Crippen estimate
Polar surface area
55.4 Ų
H-bond donors / acceptors
1 / 3
Rotatable bonds
1

Identifiers

CAS number
179321-49-4
SMILES
CC(C)(C)OC(=O)NC1CCC(=O)CC1
InChIKey
WYVFPGFWUKBXPZ-UHFFFAOYSA-N
InChI
InChI=1S/C11H19NO3/c1-11(2,3)15-10(14)12-8-4-6-9(13)7-5-8/h8H,4-7H2,1-3H3,(H,12,14)

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Names and synonyms

1 names
  • 4-N-Boc-aminocyclohexanone

Work with tert-Butyl N-(4-oxocyclohexyl)carbamate

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 3-oxocyclobutylcarbamate154748-49-970 % similar Boc-trans-4-aminocyclohexanol111300-06-264 % similar tert-Butyl cis-4-hydroxycyclohexylcarbamate167081-25-664 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate177906-48-864 % similar 4-N-Boc-amino-cyclohexanol224309-64-264 % similar Cis tert-Butyl 4-aminocyclohexylcarbamate247570-24-764 % similar exo-3-Boc-aminotropane132234-68-561 % similar rac-tert-Butyl N-[(1r,4r)-4-formylcyclohexyl]carbamate181308-57-661 % 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 3-methyl-4-oxopiperidine-1-carboxylate181269-69-2 N-Boc-hexahydro-1H-azepin-4-one188975-88-4 tert-Butyl 2-methyl-4-oxopiperidine-1-carboxylate190906-92-4 1,1-Dimethylethyl N-(3-oxocyclohexyl)carbamate885280-38-6

Elsewhere

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