1-(9-Azabicyclo[4.2.1]Non-2-En-2-Yl)-1-Propanone

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Properties Simple | Detailed

Formula C11H17NO
IUPAC Name 1-[(1r,6r)-9-azabicyclo[4.2.1]non-4-en-5-yl]propan-1-one
Molecular Mass 179.259 g·mol−1
Heat of Formation -159.0 ± 16.7 kJ·mol−1
Dipole Moment 4.14 ± 1.08 D
Volume 237.49 Å 3
Surface Area 216.16 Å 2
HOMO Energy -9.00 ± 0.55 eV
LUMO Energy 0.49 ± eV
Point Group Symmetry C1
Synonyms
  • (1r)-1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-1-propanone
  • 1-[(1r,6r)-9-azabicyclo[4.2.1]non-4-en-5-yl]propan-1-one
  • 1-propanone, 1-(9-azabicyclo(4.2.1)non-2-en-2-yl)-, (1r)-
  • 2-(propan-1-oxo-1-yl)-9-azabicyclo(4.2.1)non-2-ene
  • homoanatoxin
  • homoantx
CAS Number(s)
  • 142926-86-1
InChIKey VVMQRZZXKNDPOT-PSASIEDQSA-N
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