(2E)-3-(9-Hydroxy-8-Methyl-5-Oxo-5H-Pyrrolo[2,1-C][1,4]Benzodiazepin-2-Yl)Acrylamide

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Formula C16H13N3O3
IUPAC Name (e)-3-(4-hydroxy-3-methyl-11-oxo-pyrrolo[2,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
Molecular Mass 295.293 g·mol−1
Heat of Formation -140.3 ± 16.7 kJ·mol−1
Dipole Moment 6.51 ± 1.08 D
Volume 330.36 Å 3
Surface Area 309.18 Å 2
HOMO Energy -8.92 ± 0.55 eV
LUMO Energy -1.49 ± eV
Point Group Symmetry Cs
Synonyms
  • (e)-3-(4-hydroxy-11-keto-3-methyl-pyrrolo[5,1-c][1,4]benzodiazepin-8-yl)acrylamide
  • (e)-3-(4-hydroxy-3-methyl-11-oxo-8-pyrrolo[5,1-c][1,4]benzodiazepinyl)prop-2-enamide
  • (e)-3-(4-hydroxy-3-methyl-11-oxo-pyrrolo[5,1-c][1,4]benzodiazepin-8-yl)prop-2-enamide
  • 1,11a-daa
  • 1,11a-didehydroanhydroanthramycin
  • 2-propenamide, 3-(9-hydroxy-8-methyl-5-oxo-5h-pyrrolo(2,1-c)(1,4)benzodiazepin-2-yl)-, (e)-
CAS Number(s)
  • 77165-77-6
InChIKey GANGOVGYTQJCFA-HWKANZROSA-N
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