-ISIS-  08251614502D

 22 24  0  0  0  0  0  0  0  0999 V2000
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    2.4333    0.7083    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
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   -0.0083    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6375    1.1750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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   -4.0792    0.7083    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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   -1.6375   -1.6417    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
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    3.2542   -0.7292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  2  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  5  3  2  0  0  0  0
  6  8  1  0  0  0  0
  7  6  1  0  0  0  0
  8  9  2  0  0  0  0
  9  5  1  0  0  0  0
 10  5  1  0  0  0  0
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 12  4  1  0  0  0  0
 13 11  1  0  0  0  0
 14  6  2  0  0  0  0
 15  1  1  0  0  0  0
 16  3  1  0  0  0  0
 17  7  1  0  0  0  0
 18  7  1  0  0  0  0
 19 15  1  0  0  0  0
 20 16  1  0  0  0  0
 21 18  1  0  0  0  0
 22 17  1  0  0  0  0
  4 10  2  0  0  0  0
 12 13  1  0  0  0  0
 21 22  1  0  0  0  0
M  END
>  <ID> (STK692854)
STK692854

>  <Rotatable_Bonds> (STK692854)
4

>  <logP> (STK692854)
2.434

>  <PSA> (STK692854)
57.23

>  <H_Donors> (STK692854)
0

>  <H_Acceptors> (STK692854)
5

>  <Number_of_rings> (STK692854)
3

>  <NAME> (STK692854)
(2E)-3-(6,7-dimethoxy-1,3-benzodioxol-5-yl)-1-(pyrrolidin-1-yl)prop-2-en-1-one

>  <Mol_Weight> (STK692854)
305.33

>  <Mol_Formula> (STK692854)
C16H19NO5

>  <Smiles> (STK692854)
COc1c(/C=C/C(=O)N2CCCC2)cc2c(c1OC)OCO2

$$$$