chempirical

2-Azabicyclo(2.2.2)octan-3-one

C7H11NOCAS 3306-69-2125.17 g/mol

Open in Covalent MOL file
OHN
AmideLactam

Properties

Molecular formula
C7H11NO
Molar mass
125.17 g/mol
Exact mass
125.0841 Da
logP
0.68Crippen estimate
Polar surface area
29.1 Ų
H-bond donors / acceptors
1 / 1
Rotatable bonds
0

Identifiers

CAS number
3306-69-2
SMILES
C1CC2CCC1C(=O)N2
InChIKey
CZVSOFLNEUYJRJ-UHFFFAOYSA-N
InChI
InChI=1S/C7H11NO/c9-7-5-1-3-6(8-7)4-2-5/h5-6H,1-4H2,(H,8,9)

Weigh it out

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

Names and synonyms

12 names
  • 2-Azabicyclo[2.2.2]octan-3-one
  • 3-Isoquinuclidone
  • Isonortropinone
  • 3-Azabicyclo[2.2.2]octan-2-one
  • 2-Azabicyclo[2,2,2]octan-3-one
  • Cyclohexanecarboxylic acid, 4-amino-, lactam
  • 4-Aminocyclohexanecar
  • 4-Aminocyclohexanecarboxylic acid lactam
  • Cyclohexanecarboxylic acid, lactam
  • 2-Azabicyclo[2,2,2]-octanone-3
  • 2-Aza-bicyclo[2.2.2]octan-3-one
  • (1r,4r)-2-Azabicyclo[2.2.2]octan-3-one

Work with 2-Azabicyclo(2.2.2)octan-3-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

Dicyclopropyl ketone1121-37-536 % similar 1,4-Cyclohexanedicarboxylic acid1076-97-732 % similar Cyclopropanecarbonyl chloride4023-34-132 % similar 1,4-Cyclohexanedicarboxylic acid619-81-832 % similar trans-1,4-Cyclohexanedicarboxylic acid619-82-932 % similar

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

Same formula

Cyclohexyl isocyanate3173-53-3 N-Propargylmorpholine5799-76-8 Pivaloylacetonitrile59997-51-2 3-Ethyl-1,5-dihydro-4-methyl-2H-pyrrol-2-one766-36-9 1-Hydroxycyclohexanecarbonitrile931-97-5

Elsewhere

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