1-[(9Br)-5-Oxo-2,3,5,9B-Tetrahydro-1H-Pyrrolo[2,1-A]Isoindol-9-Yl]-3-(2-Pyridinyl)Urea

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Properties Simple | Detailed

Formula C17H16N4O2
IUPAC Name 1-[(9br)-5-oxo-1,2,3,9b-tetrahydropyrrolo[2,1-a]isoindol-9-yl]-3-(2-pyridyl)urea
Molecular Mass 308.335 g·mol−1
Heat of Formation -83.6 ± 16.7 kJ·mol−1
Dipole Moment 7.21 ± 1.08 D
Volume 353.19 Å 3
Surface Area 315.16 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.92 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(5-oxo-2,3,5,9b-tetrahydro-1h-pyrrolo[2,1-a]isoindol-9-yl)-3-pyridin-2-yl-urea
  • 1-[(9br)-5-keto-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-9-yl]-3-(2-pyridyl)urea
  • 1-[(9br)-5-oxo-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-9-yl]-3-(2-pyridyl)urea
  • 1-[(9br)-5-oxo-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-9-yl]-3-pyridin-2-yl-urea
  • 1-[(9br)-5-oxo-1,2,3,9b-tetrahydropyrrolo[1,2-b]isoindol-9-yl]-3-pyridin-2-ylurea
  • 1pu
  • diarylurea deriv. 1
  • n'-(pyrrolidino[2,1-b]isoindolin-4-on-8-yl)-n-(pyridin-2-yl)urea
InChIKey KLVYMYQTRZCMLE-CYBMUJFWSA-N
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