
 CHEMBL544767

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.4469   -0.6091   -0.2396 C   0  0  0  0  0
    2.6919   -0.1378    0.5226 C   0  0  0  0  0
    3.1309    1.2153    0.1748 N   0  0  0  0  0
    3.9960    1.5947   -0.7760 C   0  0  0  0  0
    4.5795    0.8317   -1.5282 O   0  0  0  0  0
    4.1557    3.0934   -0.7822 C   0  0  0  0  0
    3.7812    3.7054   -2.1336 C   0  0  0  0  0
    4.9159    4.6831   -2.3940 C   0  0  0  0  0
    6.1162    4.0900   -1.7798 N   0  0  0  0  0
    5.5953    3.5568   -0.5136 C   0  0  0  0  0
    6.7398    3.0464   -2.6129 C   0  0  0  0  0
    3.2876    3.4467    0.2577 O   0  0  0  0  0
    2.7221    2.3339    0.7825 C   0  0  0  0  0
    1.9282    2.3556    1.7102 O   0  0  0  0  0
    0.4690    2.1235   -2.1603 Cl  0  0  0  0  0
    1.1725   -1.6376    0.0656 H   0  0  0  0  0
    1.6414   -0.6235   -1.3340 H   0  0  0  0  0
    0.5858    0.0592   -0.0169 H   0  0  0  0  0
    3.5193   -0.8495    0.3135 H   0  0  0  0  0
    2.4626   -0.1778    1.6097 H   0  0  0  0  0
    2.7520    4.1132   -2.2222 H   0  0  0  0  0
    3.8879    2.9240   -2.9175 H   0  0  0  0  0
    5.0376    4.9308   -3.4716 H   0  0  0  0  0
    4.6925    5.6279   -1.8503 H   0  0  0  0  0
    6.2473    2.8068   -0.0122 H   0  0  0  0  0
    5.5420    4.4289    0.1770 H   0  0  0  0  0
    7.6173    2.6183   -2.0819 H   0  0  0  0  0
    7.1044    3.4894   -3.5624 H   0  0  0  0  0
    6.0485    2.2207   -2.8638 H   0  0  0  0  0
    1.5307    1.2877   -2.4167 H   0  0  0  0  0
  1  2  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  2 20  1  0  0  0
  3 13  1  0  0  0
  3  4  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6 12  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  7  8  1  0  0  0
  7 21  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 11  1  0  0  0
 10 25  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 13  1  0  0  0
 13 14  2  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL544767

>  <PubChem CID>
45260732

>  <Formula>
C9H15ClN2O3

>  <Molecular Weight>
234.680000

>  <IUPAC Name>
3-ethyl-7-methyl-1-oxa-3,7-diazaspiro[4.4]nonane-2,4-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C(=O)C2(CCN(C2)C)OC1=O.Cl

>  <Isomeric SMILES>
CCN1C(=O)C2(CCN(C2)C)OC1=O.Cl

>  <InChI Std. ID>
InChI=1S/C9H14N2O3.ClH/c1-3-11-7(12)9(14-8(11)13)4-5-10(2)6-9;/h3-6H2,1-2H3;1H

>  <InChI Key>
RQSUYWCWDILPBS-UHFFFAOYSA-N

