
 arecoline

 24 24  0  0  0  0  0  0  0  0999 V2000
    0.8501   -0.1289   -0.4328 C   0  0  0  0  0
    2.1406    0.0220    0.2377 N   0  0  0  0  0
    2.6459    1.4014    0.1600 C   0  0  0  0  0
    3.0513    1.8456   -1.2566 C   0  0  0  0  0
    3.7958    0.7795   -2.0089 C   0  0  0  0  0
    3.8531   -0.4887   -1.5565 C   0  0  0  0  0
    3.1454   -0.9265   -0.2945 C   0  0  0  0  0
    4.6200   -1.5617   -2.2472 C   0  0  0  0  0
    4.6965   -2.7068   -1.8263 O   0  0  0  0  0
    5.2186   -1.0981   -3.3741 O   0  0  0  0  0
    5.9945   -2.0763   -4.0666 C   0  0  0  0  0
    0.1194    0.5754   -0.0194 H   0  0  0  0  0
    0.4464   -1.1321   -0.2556 H   0  0  0  0  0
    0.9028    0.0283   -1.5151 H   0  0  0  0  0
    3.5197    1.4831    0.8210 H   0  0  0  0  0
    1.9074    2.1019    0.5692 H   0  0  0  0  0
    3.6807    2.7396   -1.1815 H   0  0  0  0  0
    2.1622    2.1241   -1.8347 H   0  0  0  0  0
    4.2938    1.0820   -2.9253 H   0  0  0  0  0
    2.6708   -1.9059   -0.4377 H   0  0  0  0  0
    3.9059   -1.0748    0.4836 H   0  0  0  0  0
    6.3854   -1.6148   -4.9777 H   0  0  0  0  0
    5.3750   -2.9324   -4.3513 H   0  0  0  0  0
    6.8403   -2.3962   -3.4499 H   0  0  0  0  0
  1  2  1  0  0  0
  1 12  1  0  0  0
  1 13  1  0  0  0
  1 14  1  0  0  0
  2  3  1  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 15  1  0  0  0
  3 16  1  0  0  0
  4  5  1  0  0  0
  4 17  1  0  0  0
  4 18  1  0  0  0
  5  6  2  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6  8  1  0  0  0
  7 20  1  0  0  0
  7 21  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 11 22  1  0  0  0
 11 23  1  0  0  0
 11 24  1  0  0  0
M  END

>  <Chemical Name>
arecoline

>  <PubChem CID>
2230

>  <Formula>
C8H13NO2

>  <Molecular Weight>
155.197000

>  <IUPAC Name>
methyl 1-methyl-3,6-dihydro-2H-pyridine-5-carboxylate

>  <XlogP>
0.300

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CN1CCC=C(C1)C(=O)OC

>  <Isomeric SMILES>
CN1CCC=C(C1)C(=O)OC

>  <InChI Std. ID>
InChI=1S/C8H13NO2/c1-9-5-3-4-7(6-9)8(10)11-2/h4H,3,5-6H2,1-2H3

>  <InChI Key>
HJJPJSXJAXAIPN-UHFFFAOYSA-N

