6-{4-[(2-Methyl-3-Oxo-1-Cyclopenten-1-Yl)Amino]Phenyl}-4,5-Dihydro-3(2H)-Pyridazinone

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Formula C16H17N3O2
IUPAC Name 3-[4-[(2-methyl-3-oxo-cyclopenten-1-yl)amino]phenyl]-4,5-dihydro-1h-pyridazin-6-one
Molecular Mass 283.325 g·mol−1
Heat of Formation -106.5 ± 16.7 kJ·mol−1
Dipole Moment 3.99 ± 1.08 D
Volume 339.21 Å 3
Surface Area 305.75 Å 2
HOMO Energy -8.58 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 3(2h)-pyridazinone, 4,5-dihydro-6-(4-((2-methyl-3-oxo-1-cyclopenten-1-yl)amino)phenyl)-
  • 4,5-dihydro-6-(4-((2-methyl-3-oxo-1-cyclopentenyl)amino)phenyl)-3(2h)-pyridazinone
  • 6-[4-[(2-methyl-3-oxo-1-cyclopentenyl)amino]phenyl]-4,5-dihydro-2h-pyridazin-3-one
  • 6-[4-[(3-keto-2-methyl-1-cyclopentenyl)amino]phenyl]-4,5-dihydro-2h-pyridazin-3-one
  • nsp 804
  • nsp-804
CAS Number(s)
  • 125068-43-1
InChIKey IPSXUKGVYYVUEM-UHFFFAOYSA-N
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