5,5-Dimethyl-1-pyrroline N-oxide
C6H11NO
3317-61-1 Copyright (C) 2023 ACS
  8  8  0  0  0  0  0  0  0  0999 V2000
    2.0159    3.8119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    3.3834    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9865    2.6217    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2459    2.4782    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6529    1.8517    0.0000 N   0  0  0  0  0  5  0  0  0  0  0  0
    0.2154    1.3337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4918    0.3202    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9855    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  2  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  5  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7  8  1  0  0  0  0
M  END
> <cas.rn>
3317-61-1

> <cas.index.name>
2H-Pyrrole, 3,4-dihydro-2,2-dimethyl-, 1-oxide

> <molecular.formula>
C6H11NO

> <molecular.weight>
113.16

> <boiling.point.experimental>
66-67 °C    Press: 0.6 Torr

> <density.predicted>
0.95±0.1 g/cm3    Temp: 20 °C; Press: 760 Torr

> <pka.predicted>
2.47±0.40    Most Basic Temp: 25 °C

$$$$
