1-[(7R,8S)-7-Hydroxy-6,6-Dimethyl-7,8-Dihydro-6H-Chromeno[6,7-C][1,2,5]Oxadiazol-8-Yl]-2-Piperidinone

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Properties Simple | Detailed

Formula C16H19N3O4
IUPAC Name 1-[(7r,8s)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[2,3-f][2,1,3]benzoxadiazol-8-yl]piperidin-2-one
Molecular Mass 317.340 g·mol−1
Heat of Formation -296.7 ± 16.7 kJ·mol−1
Dipole Moment 6.80 ± 1.08 D
Volume 366.44 Å 3
Surface Area 305.7 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry C1
Synonyms
  • 1-[(7r,8s)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[6,5-f][2,1,3]benzoxadiazol-8-yl]-2-piperidinone
  • 1-[(7r,8s)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[6,5-f][2,1,3]benzoxadiazol-8-yl]-2-piperidone
  • 1-[(7r,8s)-7-hydroxy-6,6-dimethyl-7,8-dihydropyrano[6,5-f][2,1,3]benzoxadiazol-8-yl]piperidin-2-one
  • 2-piperidinone, 1-(7,8-dihydro-7-hydroxy-6,6-dimethyl-6h-pyrano(2,3-f)-2,1,3-benzoxadiazol-8-yl)-, trans-(+)-
  • 7,8-dihydro-6,6-dimethyl-7-hydroxy-8-(2-oxo-piperidin-1-yl)-6h-pyrano(2,3)benz-2,1,3-oxadiazole
  • nip 121
  • nip-121
CAS Number(s)
  • 135244-62-1
InChIKey KMXPHBJUGYLXDM-LSDHHAIUSA-N
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