chempirical

Tropinone

C8H13NOCAS 532-24-1139.20 g/mol

Open in Covalent MOL file
NO
KetoneTertiary amine

Properties

Molecular formula
C8H13NO
Molar mass
139.20 g/mol
Exact mass
139.0997 Da
Melting point
43 °C
Boiling point
227 °C
logP
0.81Crippen 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
532-24-1
SMILES
CN1C2CCC1CC(=O)C2
InChIKey
QQXLDOJGLXJCSE-UHFFFAOYSA-N
InChI
InChI=1S/C8H13NO/c1-9-6-2-3-7(9)5-8(10)4-6/h6-7H,2-5H2,1H3

Weigh it out

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

Names and synonyms

10 names
  • 8-Azabicyclo[3.2.1]octan-3-one, 8-methyl-
  • 1αH,5αH-Tropan-3-one
  • Tropanone
  • 8-Methyl-8-azabicyclo[3.2.1]octan-3-one
  • 3-Tropanone
  • 3-Tropinone
  • Tropanon
  • Tropinon
  • N-Methyl-8-azabicyclo[3.2.1]octan-3-one
  • NSC 118012

Work with Tropinone

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

Pseudopelletierine552-70-583 % similar (±)-6β-Hydroxytropinone5932-53-650 % similar N-Carbethoxy-4-tropinone32499-64-245 % similar N-Boc-nortropinone185099-67-644 % similar 8-Benzyl-8-azabicyclo[3.2.1]octan-3-one28957-72-441 % similar Isobutyl ketone108-83-840 % similar Methyldicyclohexylamine7560-83-040 % similar 2-Carbomethoxytropinone36127-17-039 % similar

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

Same formula

7-Cyanoheptanal13050-09-4 Vinylcaprolactam2235-00-9 trans-1-Isocyanato-4-methylcyclohexane32175-00-1 1-Cyclopropylpiperidin-4-one62813-01-8 3-Amino-5,5-dimethyl-2-cyclohexen-1-one873-95-0

Elsewhere

PubChem CAS Common Chemistry NIST WebBook Wikipedia