
 CHEMBL108411

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.9340   -1.0636    0.7896 C   0  0  0  0  0
    2.9401    0.0684    0.7430 C   0  0  0  0  0
    1.8896    0.0078    1.3823 O   0  0  0  0  0
    3.2755    1.1659   -0.0146 N   0  0  0  0  0
    2.4181    2.3389   -0.0386 C   0  0  0  0  0
    3.0835    3.2967   -1.0145 C   0  0  0  0  0
    4.5578    2.9152   -0.9102 C   0  0  0  0  0
    4.5164    1.3909   -0.7494 C   0  0  0  0  0
    4.4773    0.7311   -2.0332 C   0  0  0  0  0
    4.4451    0.1873   -3.0914 C   0  0  0  0  0
    4.4059   -0.4725   -4.3752 C   0  0  0  0  0
    4.4647    0.4857   -5.4923 N   0  0  0  0  0
    4.6205   -0.2358   -6.7574 C   0  0  0  0  0
    3.2629    1.3238   -5.5501 C   0  0  0  0  0
    4.8455   -0.7382    1.2978 H   0  0  0  0  0
    4.1637   -1.4213   -0.2158 H   0  0  0  0  0
    3.5043   -1.8969    1.3540 H   0  0  0  0  0
    2.3886    2.7580    0.9733 H   0  0  0  0  0
    1.4014    2.0666   -0.3384 H   0  0  0  0  0
    2.7185    3.1147   -2.0323 H   0  0  0  0  0
    2.8955    4.3454   -0.7686 H   0  0  0  0  0
    5.1426    3.2586   -1.7696 H   0  0  0  0  0
    4.9813    3.3708   -0.0060 H   0  0  0  0  0
    5.3711    1.0422   -0.1613 H   0  0  0  0  0
    3.5118   -1.1043   -4.4525 H   0  0  0  0  0
    5.2706   -1.1461   -4.4336 H   0  0  0  0  0
    5.5401   -0.8317   -6.7531 H   0  0  0  0  0
    4.7093    0.4671   -7.5936 H   0  0  0  0  0
    3.7760   -0.9056   -6.9588 H   0  0  0  0  0
    3.1703    1.9512   -4.6574 H   0  0  0  0  0
    2.3479    0.7294   -5.6531 H   0  0  0  0  0
    3.3195    2.0147   -6.3992 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  8  1  0  0  0
  4  5  1  0  0  0
  5  6  1  0  0  0
  5 18  1  0  0  0
  5 19  1  0  0  0
  6  7  1  0  0  0
  6 20  1  0  0  0
  6 21  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  9 10  3  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 14  1  0  0  0
 12 13  1  0  0  0
 13 27  1  0  0  0
 13 28  1  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 14 31  1  0  0  0
 14 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL108411

>  <PubChem CID>
15629537

>  <Formula>
C11H18N2O

>  <Molecular Weight>
194.278000

>  <IUPAC Name>
1-[(2S)-2-[3-(dimethylamino)prop-1-ynyl]pyrrolidin-1-yl]ethanone

>  <XlogP>
0.3

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)N1CCCC1C#CCN(C)C

>  <Isomeric SMILES>
CC(=O)N1CCC[C@H]1C#CCN(C)C

>  <InChI Std. ID>
InChI=1S/C11H18N2O/c1-10(14)13-9-5-7-11(13)6-4-8-12(2)3/h11H,5,7-9H2,1-3H3/t11-/m1/s1

>  <InChI Key>
CPIUMVHVTRAEHA-LLVKDONJSA-N

