
 CHEMBL542886

 27 27  0  0  0  0  0  0  0  0999 V2000
    0.8620   -0.4165    0.2110 C   0  0  0  0  0
    2.3358   -0.4309    0.2635 N   0  0  0  0  0
    2.8675   -0.2683    1.6339 C   0  0  0  0  0
    2.6202   -1.5154    2.5003 C   0  0  0  0  0
    3.2184   -2.7607    1.8231 C   0  0  0  0  0
    2.6884   -2.9077    0.3853 C   0  0  0  0  0
    2.9271   -1.6094   -0.4075 C   0  0  0  0  0
    2.9742   -4.0091    2.6382 C   0  0  0  0  0
    1.8824   -4.4826    2.9149 O   0  0  0  0  0
    4.1262   -4.5439    3.0304 N   0  0  0  0  0
    5.0938   -3.7666    2.5496 C   0  0  0  0  0
    6.2820   -3.9782    2.7301 O   0  0  0  0  0
    4.6179   -2.7191    1.8416 O   0  0  0  0  0
    0.7146    2.8092   -1.2627 Cl  0  0  0  0  0
    0.5203   -0.4274   -0.8454 H   0  0  0  0  0
    0.4721    0.5107    0.6811 H   0  0  0  0  0
    0.4065   -1.2808    0.7332 H   0  0  0  0  0
    2.4175    0.6256    2.1188 H   0  0  0  0  0
    3.9625   -0.0803    1.5722 H   0  0  0  0  0
    3.0699   -1.3694    3.5071 H   0  0  0  0  0
    1.5283   -1.6550    2.6413 H   0  0  0  0  0
    3.1880   -3.7591   -0.1264 H   0  0  0  0  0
    1.6016   -3.1293    0.4109 H   0  0  0  0  0
    4.0226   -1.4465   -0.5136 H   0  0  0  0  0
    2.5183   -1.7135   -1.4364 H   0  0  0  0  0
    4.2481   -5.3975    3.5984 H   0  0  0  0  0
    1.8696    2.2787   -0.7357 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  7  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  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 22  1  0  0  0
  6 23  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 11 13  1  0  0  0
 11 12  2  0  0  0
 14 27  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL542886

>  <PubChem CID>
45260758

>  <Formula>
C8H13ClN2O3

>  <Molecular Weight>
220.653000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CN1CCC2(CC1)C(=O)NC(=O)O2.Cl

>  <Isomeric SMILES>
CN1CCC2(CC1)C(=O)NC(=O)O2.Cl

>  <InChI Std. ID>
InChI=1S/C8H12N2O3.ClH/c1-10-4-2-8(3-5-10)6(11)9-7(12)13-8;/h2-5H2,1H3,(H,9,11,12);1H

>  <InChI Key>
IYQJFYGDAVPPPW-UHFFFAOYSA-N

