
 CHEMBL419451

 32 33  0  0  0  0  0  0  0  0999 V2000
    0.9367    0.1599   -0.1790 C   0  0  0  0  0
    2.3837    0.0987    0.0118 N   0  0  0  0  0
    2.7721    0.1565    1.4246 C   0  0  0  0  0
    2.4795   -1.1294    2.1975 C   0  0  0  0  0
    3.0782   -2.3416    1.4879 C   0  0  0  0  0
    2.7179   -2.3884    0.0061 C   0  0  0  0  0
    2.9979   -1.0459   -0.6690 C   0  0  0  0  0
    2.6793   -3.6187    2.1858 C   0  0  0  0  0
    1.5500   -4.0858    2.2301 O   0  0  0  0  0
    3.8012   -4.1373    2.7412 N   0  0  0  0  0
    4.8804   -3.3970    2.4151 C   0  0  0  0  0
    6.0394   -3.6157    2.7292 O   0  0  0  0  0
    4.5074   -2.3349    1.6450 O   0  0  0  0  0
    3.8449   -5.3414    3.5315 C   0  0  0  0  0
    3.6834   -4.9713    4.9776 C   0  0  0  0  0
    2.5716   -5.1861    5.6938 C   0  0  0  0  0
    0.6941    0.2042   -1.2466 H   0  0  0  0  0
    0.5314    1.0742    0.2688 H   0  0  0  0  0
    0.4069   -0.6940    0.2545 H   0  0  0  0  0
    2.2809    1.0041    1.9183 H   0  0  0  0  0
    3.8470    0.3731    1.4798 H   0  0  0  0  0
    2.8986   -1.0327    3.2071 H   0  0  0  0  0
    1.3962   -1.2540    2.3180 H   0  0  0  0  0
    3.3032   -3.1646   -0.5028 H   0  0  0  0  0
    1.6618   -2.6558   -0.1231 H   0  0  0  0  0
    4.0828   -0.8832   -0.7101 H   0  0  0  0  0
    2.6715   -1.0839   -1.7157 H   0  0  0  0  0
    4.8064   -5.8462    3.3899 H   0  0  0  0  0
    3.0480   -6.0188    3.2043 H   0  0  0  0  0
    4.5457   -4.5171    5.4629 H   0  0  0  0  0
    1.6863   -5.6363    5.2527 H   0  0  0  0  0
    2.5199   -4.9038    6.7411 H   0  0  0  0  0
  1  2  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  1 19  1  0  0  0
  2  7  1  0  0  0
  2  3  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 22  1  0  0  0
  4 23  1  0  0  0
  5  6  1  0  0  0
  5 13  1  0  0  0
  5  8  1  0  0  0
  6  7  1  0  0  0
  6 24  1  0  0  0
  6 25  1  0  0  0
  7 26  1  0  0  0
  7 27  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 14  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 14 15  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 16  2  0  0  0
 15 30  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL419451

>  <PubChem CID>
14956871

>  <Formula>
C11H16N2O3

>  <Molecular Weight>
224.260000

>  <IUPAC Name>
8-methyl-3-prop-2-enyl-1-oxa-3,8-diazaspiro[4.5]decane-2,4-dione

>  <XlogP>
0.7

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC2(CC1)C(=O)N(C(=O)O2)CC=C

>  <Isomeric SMILES>
CN1CCC2(CC1)C(=O)N(C(=O)O2)CC=C

>  <InChI Std. ID>
InChI=1S/C11H16N2O3/c1-3-6-13-9(14)11(16-10(13)15)4-7-12(2)8-5-11/h3H,1,4-8H2,2H3

>  <InChI Key>
WTZBFOXXTSPHQO-UHFFFAOYSA-N

