
 CHEMBL1783985

 42 44  0  0  0  0  0  0  0  0999 V2000
   -3.1748    0.3612   -0.1107 C   0  0  0  0  0
   -2.1402    1.1875    0.6442 C   0  0  0  0  0
   -0.8296    0.4210    0.8238 C   0  0  0  0  0
   -0.2302   -0.0967   -0.5115 C   0  0  0  0  0
   -1.3164   -0.9196   -1.2502 C   0  0  0  0  0
   -2.6321   -0.1622   -1.4355 C   0  0  0  0  0
    0.2667    1.0580   -1.4183 C   0  0  0  0  0
    1.4734    1.7865   -0.8309 C   0  0  0  0  0
    2.5978    0.8223   -0.4730 C   0  0  0  0  0
    2.1267   -0.3042    0.3267 N   0  0  0  0  0
    0.9707   -1.0268   -0.2068 C   0  0  0  0  0
    2.9308   -0.9597    1.2741 C   0  0  0  0  0
    2.6143   -2.0758    1.7072 O   0  0  0  0  0
    4.1998   -0.2192    1.7754 C   0  0  0  0  0
    5.0131   -0.8861    2.9257 C   0  0  0  0  0
    6.2859   -0.3416    2.2531 C   0  0  0  0  0
    5.4985   -0.3455    0.9296 C   0  0  0  0  0
   -3.4850   -0.4866    0.5128 H   0  0  0  0  0
   -4.0701    0.9658   -0.2912 H   0  0  0  0  0
   -2.5400    1.4576    1.6285 H   0  0  0  0  0
   -1.9578    2.1291    0.1147 H   0  0  0  0  0
   -0.1169    1.0545    1.3630 H   0  0  0  0  0
   -1.0254   -0.4347    1.4849 H   0  0  0  0  0
   -0.9473   -1.2431   -2.2318 H   0  0  0  0  0
   -1.5251   -1.8378   -0.6838 H   0  0  0  0  0
   -2.4906    0.6718   -2.1325 H   0  0  0  0  0
   -3.3726   -0.8279   -1.8941 H   0  0  0  0  0
   -0.5250    1.7882   -1.6139 H   0  0  0  0  0
    0.5536    0.6511   -2.3975 H   0  0  0  0  0
    1.8420    2.5271   -1.5501 H   0  0  0  0  0
    1.1704    2.3456    0.0618 H   0  0  0  0  0
    3.0432    0.4035   -1.3836 H   0  0  0  0  0
    3.3852    1.3772    0.0400 H   0  0  0  0  0
    1.3109   -1.5285   -1.1221 H   0  0  0  0  0
    0.6587   -1.8179    0.4850 H   0  0  0  0  0
    3.9729    0.8229    2.0457 H   0  0  0  0  0
    4.9663   -1.9811    2.9481 H   0  0  0  0  0
    4.8123   -0.5036    3.9301 H   0  0  0  0  0
    6.5705    0.6602    2.5947 H   0  0  0  0  0
    7.1613   -0.9942    2.2902 H   0  0  0  0  0
    5.7156    0.4893    0.2579 H   0  0  0  0  0
    5.5802   -1.2835    0.3674 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  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 22  1  0  0  0
  3 23  1  0  0  0
  4  5  1  0  0  0
  4 11  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 24  1  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  6 27  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  8 31  1  0  0  0
  9 10  1  0  0  0
  9 32  1  0  0  0
  9 33  1  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 11 34  1  0  0  0
 11 35  1  0  0  0
 12 14  1  0  0  0
 12 13  2  0  0  0
 14 17  1  0  0  0
 14 15  1  0  0  0
 14 36  1  0  0  0
 15 16  1  0  0  0
 15 37  1  0  0  0
 15 38  1  0  0  0
 16 17  1  0  0  0
 16 39  1  0  0  0
 16 40  1  0  0  0
 17 41  1  0  0  0
 17 42  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1783985

>  <PubChem CID>
54582001

>  <Formula>
C15H25NO

>  <Molecular Weight>
235.371000

>  <IUPAC Name>
2-azaspiro[5.5]undecan-2-yl(cyclobutyl)methanone

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
1

>  <Canonical SMILES>
C1CCC2(CC1)CCCN(C2)C(=O)C3CCC3

>  <Isomeric SMILES>
C1CCC2(CC1)CCCN(C2)C(=O)C3CCC3

>  <InChI Std. ID>
InChI=1S/C15H25NO/c17-14(13-6-4-7-13)16-11-5-10-15(12-16)8-2-1-3-9-15/h13H,1-12H2

>  <InChI Key>
FKNJDTXOOMHZMJ-UHFFFAOYSA-N

