chempirical

Pseudopelletierine

C9H15NOCAS 552-70-5153.22 g/mol

Open in Covalent MOL file
NO
KetoneTertiary amine

Properties

Molecular formula
C9H15NO
Molar mass
153.22 g/mol
Exact mass
153.1154 Da
Melting point
54 °C
Boiling point
246 °C
logP
1.20Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
0

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number
552-70-5
SMILES
CN1C2CCCC1CC(=O)C2
InChIKey
RHWSKVCZXBAWLZ-UHFFFAOYSA-N
InChI
InChI=1S/C9H15NO/c1-10-7-3-2-4-8(10)6-9(11)5-7/h7-8H,2-6H2,1H3

Weigh it out

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

Names and synonyms

9 names
  • 9-Azabicyclo[3.3.1]nonan-3-one, 9-methyl-
  • 9-Methyl-9-azabicyclo[3.3.1]nonan-3-one
  • 9-Methyl-3-granataninone
  • ψ-Pelletierine
  • Granatan-3-one
  • 9-Methyl-3-granatanone
  • Pseudopunicine
  • Pseudopelletierin
  • NSC 116056

Reactions

Work with Pseudopelletierine

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 Boiling point under vacuumAt any pressure, from its normal boiling point Isotope patternExact mass and the mass spectrum pattern

Similar compounds

Tropinone532-24-183 % similar Methyldicyclohexylamine7560-83-048 % similar N-Boc-9-azabicyclo[3.3.1]nonan-3-one512822-27-447 % similar (±)-6β-Hydroxytropinone5932-53-647 % similar endo-3-Amine-9-methyl-9-azabicyclo[3,3,1]nonane dihydrochloride135906-03-539 % similar N-Carbethoxy-4-tropinone32499-64-239 % similar N-Boc-nortropinone185099-67-638 % similar Isobutyl ketone108-83-837 % similar

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

Same formula

2-Azaspiro(4.5)decan-1-one1005-85-2 Trimethylphenylammonium hydroxide1899-02-1 2-Azaspiro(4.5)decan-3-one64744-50-9 1-Morpholinocyclopentene936-52-7

Elsewhere

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