
 Oxotremorine 1

 32 32  0  0  0  0  0  0  0  0999 V2000
    2.0105    1.4272    1.2731 C   0  0  0  0  0
    2.1095    1.1809   -0.2128 C   0  0  0  0  0
    1.0825    1.0851   -0.8863 O   0  0  0  0  0
    3.3788    1.0572   -0.7583 N   0  0  0  0  0
    3.5136    0.8916   -2.1972 C   0  0  0  0  0
    4.6148    1.2094    0.0000 C   0  0  0  0  0
    5.0968    2.5706    0.0000 C   0  0  0  0  0
    5.4941    3.6925    0.0000 C   0  0  0  0  0
    5.9761    5.0536    0.0000 C   0  0  0  0  0
    5.0419    5.9461    0.6914 N   0  0  0  0  0
    5.5340    7.3217    0.7444 C   0  0  0  0  0
    4.2985    8.0803    1.1944 C   0  0  0  0  0
    3.1510    7.3667    0.4953 C   0  0  0  0  0
    3.7243    6.0262    0.0475 C   0  0  0  0  0
    2.4087    0.5723    1.8266 H   0  0  0  0  0
    0.9576    1.5451    1.5481 H   0  0  0  0  0
    2.5349    2.3455    1.5455 H   0  0  0  0  0
    2.5546    0.6894   -2.6803 H   0  0  0  0  0
    4.1850    0.0514   -2.3973 H   0  0  0  0  0
    3.9355    1.8063   -2.6226 H   0  0  0  0  0
    5.3630    0.5339   -0.4309 H   0  0  0  0  0
    4.4631    0.8692    1.0282 H   0  0  0  0  0
    6.1508    5.3916   -1.0292 H   0  0  0  0  0
    6.9455    5.0860    0.5121 H   0  0  0  0  0
    5.8583    7.6794   -0.2407 H   0  0  0  0  0
    6.3585    7.4406    1.4543 H   0  0  0  0  0
    4.1764    8.0006    2.2817 H   0  0  0  0  0
    4.3431    9.1431    0.9364 H   0  0  0  0  0
    2.3009    7.2422    1.1740 H   0  0  0  0  0
    2.8095    7.9411   -0.3728 H   0  0  0  0  0
    3.0748    5.2005    0.3585 H   0  0  0  0  0
    3.7996    6.0119   -1.0476 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  4  1  0  0  0
  2  3  2  0  0  0
  4  6  1  0  0  0
  4  5  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  5 20  1  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  6 22  1  0  0  0
  7  8  3  0  0  0
  8  9  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 14  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 25  1  0  0  0
 11 26  1  0  0  0
 12 13  1  0  0  0
 12 27  1  0  0  0
 12 28  1  0  0  0
 13 14  1  0  0  0
 13 29  1  0  0  0
 13 30  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
M  END

>  <Chemical Name>
Oxotremorine 1

>  <PubChem CID>
19716

>  <Formula>
C11H18N2O

>  <Molecular Weight>
194.278000

>  <IUPAC Name>
N-methyl-N-(4-pyrrolidin-1-ylbut-2-ynyl)acetamide

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)N(C)CC#CCN1CCCC1

>  <Isomeric SMILES>
CC(=O)N(C)CC#CCN1CCCC1

>  <InChI Std. ID>
InChI=1S/C11H18N2O/c1-11(14)12(2)7-3-4-8-13-9-5-6-10-13/h5-10H2,1-2H3

>  <InChI Key>
HWYHDWGGACRVEH-UHFFFAOYSA-N

