
 CHEMBL1183337

 33 32  0  0  0  0  0  0  0  0999 V2000
    4.0944   -1.0402    2.3745 C   0  0  0  0  0
    5.0848   -1.5844    1.3543 C   0  0  0  0  0
    6.2479   -0.6290    1.1179 C   0  0  0  0  0
    5.7606    0.5653    0.5032 O   0  0  0  0  0
    6.7717    1.5357    0.5450 N   0  0  0  0  0
    6.3355    2.6047   -0.0416 C   0  0  0  0  0
    7.1810    3.8614   -0.0807 C   0  0  0  0  0
    6.8118    4.7250    1.1391 C   0  0  0  0  0
    7.5722    5.9780    1.2648 N   0  0  0  0  0
    7.3360    6.9610    0.1993 C   0  0  0  0  0
    5.8773    7.4151    0.1182 C   0  0  0  0  0
    8.2342    8.1701    0.4734 C   0  0  0  0  0
    8.5713    3.5493   -0.0598 O   0  0  0  0  0
    3.2900   -1.7637    2.5437 H   0  0  0  0  0
    3.6399   -0.1053    2.0306 H   0  0  0  0  0
    4.5857   -0.8501    3.3346 H   0  0  0  0  0
    4.5531   -1.7604    0.4127 H   0  0  0  0  0
    5.4713   -2.5464    1.7071 H   0  0  0  0  0
    6.9794   -1.0910    0.4458 H   0  0  0  0  0
    6.7426   -0.3898    2.0669 H   0  0  0  0  0
    5.3230    2.6681   -0.4758 H   0  0  0  0  0
    6.9597    4.3796   -1.0182 H   0  0  0  0  0
    7.0315    4.1487    2.0484 H   0  0  0  0  0
    5.7324    4.9141    1.1738 H   0  0  0  0  0
    8.5652    5.7261    1.2475 H   0  0  0  0  0
    7.6334    6.5440   -0.7693 H   0  0  0  0  0
    5.5179    7.7851    1.0848 H   0  0  0  0  0
    5.2189    6.6018   -0.2040 H   0  0  0  0  0
    5.7654    8.2243   -0.6123 H   0  0  0  0  0
    7.9896    8.6440    1.4310 H   0  0  0  0  0
    8.1192    8.9239   -0.3132 H   0  0  0  0  0
    9.2906    7.8800    0.4987 H   0  0  0  0  0
    8.6636    2.7966    0.5574 H   0  0  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  2  3  1  0  0  0
  2 17  1  0  0  0
  2 18  1  0  0  0
  3  4  1  0  0  0
  3 19  1  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 21  1  0  0  0
  7 13  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  8  9  1  0  0  0
  8 23  1  0  0  0
  8 24  1  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 12  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 27  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1183337

>  <PubChem CID>
9990035

>  <Formula>
C9H20N2O2

>  <Molecular Weight>
188.271000

>  <IUPAC Name>
(3E)-1-(propan-2-ylamino)-3-propoxyiminopropan-2-ol

>  <XlogP>
1.0

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCCON=CC(CNC(C)C)O

>  <Isomeric SMILES>
CCCO/N=C/C(CNC(C)C)O

>  <InChI Std. ID>
InChI=1S/C9H20N2O2/c1-4-5-13-11-7-9(12)6-10-8(2)3/h7-10,12H,4-6H2,1-3H3/b11-7+

>  <InChI Key>
RCOJQKZUSNOXDA-YRNVUSSQSA-N

