
 SCHEMBL9022945

 32 32  0  0  0  0  0  0  0  0999 V2000
    3.8781   -1.0474    0.7922 C   0  0  0  0  0
    2.9037    0.0998    0.7309 C   0  0  0  0  0
    1.8449    0.0593    1.3601 O   0  0  0  0  0
    3.2644    1.1895   -0.0262 N   0  0  0  0  0
    2.4279    2.3775   -0.0611 C   0  0  0  0  0
    3.1210    3.3223   -1.0304 C   0  0  0  0  0
    4.5873    2.9139   -0.9106 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
    4.4324    0.4870   -5.4924 N   0  0  0  0  0
    4.5871   -0.2304   -6.7595 C   0  0  0  0  0
    3.2137    1.3011   -5.5352 C   0  0  0  0  0
    4.7871   -0.7363    1.3131 H   0  0  0  0  0
    4.1168   -1.4094   -0.2097 H   0  0  0  0  0
    3.4273   -1.8735    1.3503 H   0  0  0  0  0
    2.3928    2.7981    0.9499 H   0  0  0  0  0
    1.4107    2.1220   -0.3727 H   0  0  0  0  0
    2.7638    3.1467   -2.0522 H   0  0  0  0  0
    2.9497    4.3744   -0.7867 H   0  0  0  0  0
    5.1869    3.2462   -1.7641 H   0  0  0  0  0
    5.0095    3.3626   -0.0023 H   0  0  0  0  0
    5.3591    1.0271   -0.1531 H   0  0  0  0  0
    3.5244   -1.1229   -4.4432 H   0  0  0  0  0
    5.2839   -1.1277   -4.4436 H   0  0  0  0  0
    5.5185   -0.8080   -6.7665 H   0  0  0  0  0
    4.6522    0.4745   -7.5963 H   0  0  0  0  0
    3.7538   -0.9167   -6.9514 H   0  0  0  0  0
    3.1191    1.9267   -4.6410 H   0  0  0  0  0
    2.3091    0.6888   -5.6272 H   0  0  0  0  0
    3.2459    1.9933   -6.3847 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>
SCHEMBL9022945

>  <PubChem CID>
15629539

>  <Formula>
C11H18N2O

>  <Molecular Weight>
194.278000

>  <IUPAC Name>
1-[(2R)-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-/m0/s1

>  <InChI Key>
CPIUMVHVTRAEHA-NSHDSACASA-N

