
 CHEMBL542406

 33 33  0  0  0  0  0  0  0  0999 V2000
    3.3507   -1.4539    0.5255 C   0  0  0  0  0
    2.6381   -0.1238    0.3628 C   0  0  0  0  0
    3.5651    0.9990    0.2960 N   0  0  0  0  0
    4.1186    1.5046   -0.8138 C   0  0  0  0  0
    3.8454    1.1208   -1.9423 O   0  0  0  0  0
    5.1805    2.5302   -0.4500 C   0  0  0  0  0
    4.9593    3.9449   -1.0296 C   0  0  0  0  0
    5.2334    3.9776   -2.5429 C   0  0  0  0  0
    6.6139    3.3723   -2.8511 C   0  0  0  0  0
    6.6678    1.9926   -2.3272 N   0  0  0  0  0
    6.5688    2.0132   -0.8558 C   0  0  0  0  0
    7.8771    1.2842   -2.7589 C   0  0  0  0  0
    5.0600    2.5326    0.9434 O   0  0  0  0  0
    4.1385    1.6250    1.3291 C   0  0  0  0  0
    3.8852    1.3811    2.4998 O   0  0  0  0  0
    0.1625    2.9337   -1.8124 Cl  0  0  0  0  0
    2.6148   -2.2830    0.5876 H   0  0  0  0  0
    3.8930   -1.4410    1.4696 H   0  0  0  0  0
    4.0474   -1.6435   -0.3168 H   0  0  0  0  0
    1.9416    0.0191    1.2193 H   0  0  0  0  0
    2.0241   -0.1697   -0.5597 H   0  0  0  0  0
    3.9356    4.3165   -0.8072 H   0  0  0  0  0
    5.6848    4.6339   -0.5424 H   0  0  0  0  0
    4.4589    3.3881   -3.0759 H   0  0  0  0  0
    5.1846    5.0254   -2.9128 H   0  0  0  0  0
    7.4189    3.9957   -2.3958 H   0  0  0  0  0
    6.7607    3.3764   -3.9532 H   0  0  0  0  0
    6.7033    0.9891   -0.4393 H   0  0  0  0  0
    7.3640    2.6610   -0.4187 H   0  0  0  0  0
    7.9251    1.2535   -3.8681 H   0  0  0  0  0
    7.8315    0.2288   -2.4100 H   0  0  0  0  0
    8.7943    1.7637   -2.3549 H   0  0  0  0  0
    0.4535    1.7719   -2.5033 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  3  1  0  0  0
  2 20  1  0  0  0
  2 21  1  0  0  0
  3  4  1  0  0  0
  3 14  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 13  1  0  0  0
  7  8  1  0  0  0
  7 22  1  0  0  0
  7 23  1  0  0  0
  8  9  1  0  0  0
  8 24  1  0  0  0
  8 25  1  0  0  0
  9 10  1  0  0  0
  9 26  1  0  0  0
  9 27  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL542406

>  <PubChem CID>
45260751

>  <Formula>
C10H17ClN2O3

>  <Molecular Weight>
248.707000

>  <IUPAC Name>
3-ethyl-9-methyl-1-oxa-3,9-diazaspiro[4.5]decane-2,4-dione;hydrochloride

>  <XlogP>
-10000

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

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

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

>  <InChI Std. ID>
InChI=1S/C10H16N2O3.ClH/c1-3-12-8(13)10(15-9(12)14)5-4-6-11(2)7-10;/h3-7H2,1-2H3;1H

>  <InChI Key>
HMVHRROEFNOFTQ-UHFFFAOYSA-N

