N-(9-(3,4-Methylenedioxyphenyl)-2,4,8-Nonatrienoyl)Piperidine

Molecule SVG Image

Properties Simple | Detailed

Formula C21H25NO3
IUPAC Name (2e,4e,8e)-9-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)nona-2,4,8-trien-1-one
Molecular Mass 339.428 g·mol−1
Heat of Formation -276.0 ± 16.7 kJ·mol−1
Dipole Moment 4.34 ± 1.08 D
Volume 436.46 Å 3
Surface Area 340.56 Å 2
HOMO Energy -8.80 ± 0.55 eV
LUMO Energy -0.37 ± eV
Point Group Symmetry C1
Synonyms
  • (2e,4e,8e)-9-(1,3-benzodioxol-5-yl)-1-(1-piperidyl)nona-2,4,8-trien-1-one
  • (2e,4e,8e)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-yl-nona-2,4,8-trien-1-one
  • (2e,4e,8e)-9-(1,3-benzodioxol-5-yl)-1-piperidin-1-ylnona-2,4,8-trien-1-one
  • (2e,4e,8e)-9-(1,3-benzodioxol-5-yl)-1-piperidino-nona-2,4,8-trien-1-one
  • dehydropipernonaline
  • piperidine, 1-(9-(1,3-benzodioxol-5-yl)-1-oxo-2,4,8-nonatrienyl)-, (e,e,e)-
CAS Number(s)
  • 107584-38-3
InChIKey KAYVDASZRFLFRZ-PQECNABGSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H C O N