
 Oxotremorine

 33 34  0  0  0  0  0  0  0  0999 V2000
   -0.7829   -0.9306    0.4494 C   0  0  0  0  0
   -1.1281    0.5540    0.4386 C   0  0  0  0  0
    0.0227    1.2210   -0.2976 C   0  0  0  0  0
    1.1412    0.3063   -0.0608 N   0  0  0  0  0
    0.5702   -1.0318   -0.2408 C   0  0  0  0  0
    2.2653    0.5819   -0.9591 C   0  0  0  0  0
    3.4007   -0.2643   -0.6763 C   0  0  0  0  0
    4.3365   -0.9617   -0.4433 C   0  0  0  0  0
    5.4790   -1.8406   -0.1731 C   0  0  0  0  0
    6.6374   -1.4261   -0.9363 N   0  0  0  0  0
    7.3892   -0.2392   -0.6212 C   0  0  0  0  0
    8.3162   -0.0940   -1.8119 C   0  0  0  0  0
    8.5593   -1.5296   -2.2639 C   0  0  0  0  0
    7.3057   -2.2484   -1.8270 C   0  0  0  0  0
    6.9883   -3.3763   -2.1660 O   0  0  0  0  0
   -0.7228   -1.2904    1.4833 H   0  0  0  0  0
   -1.5409   -1.5262   -0.0697 H   0  0  0  0  0
   -1.1980    0.9257    1.4677 H   0  0  0  0  0
   -2.0870    0.7449   -0.0534 H   0  0  0  0  0
   -0.2181    1.2999   -1.3658 H   0  0  0  0  0
    0.2201    2.2253    0.0902 H   0  0  0  0  0
    0.4255   -1.2726   -1.3018 H   0  0  0  0  0
    1.1846   -1.8152    0.2142 H   0  0  0  0  0
    2.5717    1.6278   -0.8320 H   0  0  0  0  0
    1.9651    0.4696   -2.0087 H   0  0  0  0  0
    5.2207   -2.8733   -0.4296 H   0  0  0  0  0
    5.7489   -1.8216    0.8882 H   0  0  0  0  0
    7.9464   -0.4171    0.3049 H   0  0  0  0  0
    6.7337    0.6274   -0.5009 H   0  0  0  0  0
    7.8086    0.4590   -2.6123 H   0  0  0  0  0
    9.2400    0.4390   -1.5698 H   0  0  0  0  0
    8.6911   -1.5945   -3.3466 H   0  0  0  0  0
    9.4176   -1.9715   -1.7488 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 19  1  0  0  0
  3  4  1  0  0  0
  3 20  1  0  0  0
  3 21  1  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  5 22  1  0  0  0
  5 23  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7  8  3  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
M  END

>  <Chemical Name>
Oxotremorine

>  <PubChem CID>
4630

>  <Formula>
C12H18N2O

>  <Molecular Weight>
206.289000

>  <IUPAC Name>
1-(4-pyrrolidin-1-ylbut-2-ynyl)pyrrolidin-2-one

>  <XlogP>
0.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCN(C1)CC#CCN2CCCC2=O

>  <Isomeric SMILES>
C1CCN(C1)CC#CCN2CCCC2=O

>  <InChI Std. ID>
InChI=1S/C12H18N2O/c15-12-6-5-11-14(12)10-4-3-9-13-7-1-2-8-13/h1-2,5-11H2

>  <InChI Key>
RSDOPYMFZBJHRL-UHFFFAOYSA-N

