1-Ethyl-1,5,6,7-tetrahydro-2-(4-pyridinyl)-4H-pyrrolo[3,2-c]pyridin-4-one
C14H15N3O
942425-34-5 Copyright (C) 2025 ACS
 18 20  0  0  0  0  0  0  0  0999 V2000
    4.6079    1.1444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5773    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    6.9350    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0371    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320    2.6091    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.1320    5.1008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    3.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6673    4.6250    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    2.3150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3337    5.3950    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.0850    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.6250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5771    3.8550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3471    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3471    2.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871    5.1886    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8871    2.5213    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6571    3.8550    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1  5  1  0  0  0  0
  3 10  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  2  0  0  0  0
  4 13  1  0  0  0  0
  5  7  1  0  0  0  0
  6  8  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 12  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  2  0  0  0  0
 14 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 17 18  2  0  0  0  0
M  END
> <cas.rn>
942425-34-5

> <cas.index.name>
4H-Pyrrolo[3,2-c]pyridin-4-one, 1-ethyl-1,5,6,7-tetrahydro-2-(4-pyridinyl)-

> <molecular.formula>
C14H15N3O

> <molecular.weight>
241.29

> <boiling.point.predicted>
539.159±50.00 °C    Press: 760.00 Torr

> <density.predicted>
1.276±0.14 g/cm3    Temp: 25 °C; Press: 760 Torr

> <pka.predicted>
15.367±0.20    Most Acidic Temp: 25 °C

$$$$
