
 CHEMBL555730

 30 30  0  0  0  0  0  0  0  0999 V2000
    3.1085   -1.4535    0.2985 C   0  0  0  0  0
    2.4289   -0.1086    0.1540 C   0  0  0  0  0
    3.3763    1.0049    0.1058 N   0  0  0  0  0
    3.9437    1.5229   -0.9912 C   0  0  0  0  0
    3.6473    1.1909   -2.1288 O   0  0  0  0  0
    5.0651    2.4824   -0.5941 C   0  0  0  0  0
    4.9542    3.9295   -1.1242 C   0  0  0  0  0
    5.3108    4.0182   -2.6218 C   0  0  0  0  0
    6.6333    3.4296   -2.8955 N   0  0  0  0  0
    6.6845    2.0197   -2.4840 C   0  0  0  0  0
    6.4365    1.8980   -0.9745 C   0  0  0  0  0
    4.9278    2.4555    0.7963 O   0  0  0  0  0
    3.9696    1.5743    1.1578 C   0  0  0  0  0
    3.7115    1.3061    2.3185 O   0  0  0  0  0
   -0.0615    2.9489   -1.8728 Cl  0  0  0  0  0
    2.3610   -2.2738    0.3337 H   0  0  0  0  0
    3.6097   -1.4580    1.2573 H   0  0  0  0  0
    3.8264   -1.6410   -0.5272 H   0  0  0  0  0
    1.7251    0.0373    1.0044 H   0  0  0  0  0
    1.8255   -0.1356   -0.7753 H   0  0  0  0  0
    3.9480    4.3592   -0.9302 H   0  0  0  0  0
    5.6987    4.5504   -0.5771 H   0  0  0  0  0
    4.5428    3.5050   -3.2367 H   0  0  0  0  0
    5.3247    5.0882   -2.9275 H   0  0  0  0  0
    7.3749    3.9654   -2.3839 H   0  0  0  0  0
    7.6849    1.5999   -2.7203 H   0  0  0  0  0
    5.9409    1.4320   -3.0631 H   0  0  0  0  0
    6.5007    0.8349   -0.6526 H   0  0  0  0  0
    7.2338    2.4629   -0.4443 H   0  0  0  0  0
    0.2875    1.8425   -2.6293 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  4  1  0  0  0
  3 13  1  0  0  0
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  1  0  0  0
  6 11  1  0  0  0
  6 12  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 25  1  0  0  0
 10 11  1  0  0  0
 10 26  1  0  0  0
 10 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>
CHEMBL555730

>  <PubChem CID>
45264590

>  <Formula>
C9H15ClN2O3

>  <Molecular Weight>
234.680000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
2

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CCN1C(=O)C2(CCNCC2)OC1=O.Cl

>  <Isomeric SMILES>
CCN1C(=O)C2(CCNCC2)OC1=O.Cl

>  <InChI Std. ID>
InChI=1S/C9H14N2O3.ClH/c1-2-11-7(12)9(14-8(11)13)3-5-10-6-4-9;/h10H,2-6H2,1H3;1H

>  <InChI Key>
SVPQGNHAVDRQSU-UHFFFAOYSA-N

