chempirical

8-Benzyl-8-azabicyclo[3.2.1]octan-3-one

C14H17NOCAS 28957-72-4215.30 g/mol

Open in Covalent MOL file
ON
KetoneTertiary amine

Properties

Molecular formula
C14H17NO
Molar mass
215.30 g/mol
Exact mass
215.1310 Da
Melting point
110–111.5 °C
Boiling point
161–168 °C (at 0.25 Torr)
logP
2.38Crippen estimate
Polar surface area
20.3 Ų
H-bond donors / acceptors
0 / 2
Rotatable bonds
2

Identifiers

CAS number
28957-72-4
SMILES
O=C1CC2CCC(C1)N2Cc1ccccc1
InChIKey
RSUHKGOVXMXCND-UHFFFAOYSA-N
InChI
InChI=1S/C14H17NO/c16-14-8-12-6-7-13(9-14)15(12)10-11-4-2-1-3-5-11/h1-5,12-13H,6-10H2

Weigh it out

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

Names and synonyms

11 names
  • 8-Azabicyclo[3.2.1]octan-3-one, 8-(phenylmethyl)-
  • 1αH,5αH-Tropan-3-one, 9-phenyl-
  • 3-Nortropanone, 8-benzyl-
  • 8-(Phenylmethyl)-8-azabicyclo[3.2.1]octan-3-one
  • 8-Benzyl-1αH,5αH-nortropan-3-one
  • 8-Benzyl-3-nortropanone
  • N-Benzylnortropinone
  • N-Benzyl-3-tropinone
  • N-Benzyltropinone
  • 8-Benzyltropinone
  • 8-Benzylbicyclo[3.2.1]octan-3-one

Work with 8-Benzyl-8-azabicyclo[3.2.1]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

N-Cbz-nortropinone130753-13-855 % similar 1-Benzyl-4-piperidone3612-20-247 % similar 3-Benzyloxycyclobutanone30830-27-446 % similar 1-(Phenylmethyl)-3-pyrrolidinone775-16-646 % similar Dibenzyl ketone102-04-544 % similar 1-Benzyl-hexahydro-4H-azepin-4-one1208-75-943 % similar 4-Methyl-1-phenyl-2-pentanone5349-62-242 % similar 2-(Phenylmethyl)-1H-isoindole-1,3(2H)-dione2142-01-042 % similar

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

Elsewhere

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