
 CHEMBL542404

 30 30  0  0  0  0  0  0  0  0999 V2000
    1.0229   -0.2253    0.3020 C   0  0  0  0  0
    2.4943   -0.2932    0.3754 N   0  0  0  0  0
    3.0079   -0.2264    1.7615 C   0  0  0  0  0
    2.7042   -1.5114    2.5540 C   0  0  0  0  0
    3.2546   -2.7428    1.8104 C   0  0  0  0  0
    2.7445   -2.7812    0.3608 C   0  0  0  0  0
    3.0548   -1.4534   -0.3505 C   0  0  0  0  0
    2.9288   -4.0239    2.5399 C   0  0  0  0  0
    1.8047   -4.4522    2.7657 O   0  0  0  0  0
    4.0489   -4.6469    2.9080 N   0  0  0  0  0
    5.0682   -3.8910    2.4936 C   0  0  0  0  0
    6.2431   -4.1753    2.6695 O   0  0  0  0  0
    4.6557   -2.7740    1.8526 O   0  0  0  0  0
    4.1204   -5.9068    3.6184 C   0  0  0  0  0
   -0.7127    2.3816   -1.5103 Cl  0  0  0  0  0
    0.6941   -0.2309   -0.7582 H   0  0  0  0  0
    0.6631    0.7168    0.7661 H   0  0  0  0  0
    0.5279   -1.0734    0.8148 H   0  0  0  0  0
    2.5805    0.6538    2.2892 H   0  0  0  0  0
    4.1095   -0.0751    1.7260 H   0  0  0  0  0
    3.1467   -1.4418    3.5715 H   0  0  0  0  0
    1.6063   -1.6135    2.6791 H   0  0  0  0  0
    3.2147   -3.6242   -0.1921 H   0  0  0  0  0
    1.6478   -2.9532    0.3549 H   0  0  0  0  0
    4.1581   -1.3301   -0.4245 H   0  0  0  0  0
    2.6656   -1.4822   -1.3914 H   0  0  0  0  0
    5.1739   -6.2075    3.7996 H   0  0  0  0  0
    3.6238   -6.7000    3.0195 H   0  0  0  0  0
    3.6031   -5.8141    4.5965 H   0  0  0  0  0
    0.6420    2.1406   -1.5343 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  7  1  0  0  0
  2  3  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
  4 21  1  0  0  0
  4 22  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 23  1  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  7 26  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 27  1  0  0  0
 14 28  1  0  0  0
 14 29  1  0  0  0
 15 30  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL542404

>  <PubChem CID>
45260748

>  <Formula>
C9H15ClN2O3

>  <Molecular Weight>
234.680000

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

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

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

>  <InChI Key>
BNWRNZSWUFIVBC-UHFFFAOYSA-N

