
 CHEMBL1256565

 34 37  0  0  0  0  0  0  0  0999 V2000
    1.7585    2.3808    3.3938 C   0  0  0  0  0
    2.7082    1.6068    2.5010 C   0  0  0  0  0
    3.9704    2.2670    2.5096 O   0  0  0  0  0
    4.9288    1.6463    1.6508 C   0  0  0  0  0
    6.1903    2.4933    1.6395 C   0  0  0  0  0
    6.3258    3.7849    1.1497 C   0  0  0  0  0
    7.5753    4.4015    1.2299 C   0  0  0  0  0
    8.6651    3.7281    1.8013 C   0  0  0  0  0
    8.5201    2.4271    2.2938 C   0  0  0  0  0
    7.2816    1.8059    2.2066 C   0  0  0  0  0
    6.8933    0.4283    2.6403 C   0  0  0  0  0
    5.4159    0.2946    2.2280 C   0  0  0  0  0
    5.8533    0.2254    3.6912 C   0  0  0  0  0
    4.9716   -1.0199    1.5763 C   0  0  0  0  0
    4.0589   -1.1937    0.5607 C   0  0  0  0  0
    3.9269   -2.5220    0.2492 N   0  0  0  0  0
    4.7494   -3.1521    1.0550 C   0  0  0  0  0
    5.4035   -2.2840    1.8801 N   0  0  0  0  0
    0.7857    1.8849    3.4485 H   0  0  0  0  0
    1.6170    3.3973    3.0151 H   0  0  0  0  0
    2.1674    2.4700    4.4053 H   0  0  0  0  0
    2.3130    1.5655    1.4804 H   0  0  0  0  0
    2.8131    0.5892    2.8899 H   0  0  0  0  0
    4.5521    1.5652    0.6256 H   0  0  0  0  0
    5.4775    4.3078    0.7193 H   0  0  0  0  0
    7.7060    5.4121    0.8520 H   0  0  0  0  0
    9.6315    4.2240    1.8638 H   0  0  0  0  0
    9.3675    1.9129    2.7375 H   0  0  0  0  0
    7.5713   -0.3891    2.4252 H   0  0  0  0  0
    5.5982    1.0617    4.3366 H   0  0  0  0  0
    5.8228   -0.7224    4.2137 H   0  0  0  0  0
    3.4816   -0.4482    0.0307 H   0  0  0  0  0
    4.9126   -4.2206    1.0878 H   0  0  0  0  0
    6.0872   -2.5321    2.5806 H   0  0  0  0  0
  1  2  1  0  0  0
  1 19  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  2  3  1  0  0  0
  2 22  1  0  0  0
  2 23  1  0  0  0
  3  4  1  0  0  0
  4 12  1  0  0  0
  4  5  1  0  0  0
  4 24  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 25  1  0  0  0
  7  8  2  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 28  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 13  1  0  0  0
 11 29  1  0  0  0
 12 14  1  0  0  0
 12 13  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  2  0  0  0
 14 18  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 16 17  2  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 18 34  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1256565

>  <PubChem CID>
49781006

>  <Formula>
C15H16N2O

>  <Molecular Weight>
240.306000

>  <IUPAC Name>
5-[(1aR,6S,6aR)-6-ethoxy-1a,6-dihydro-1H-cyclopropa[a]inden-6a-yl]-1H-imidazole

>  <XlogP>
1.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CCOC1C2=CC=CC=C2C3C1(C3)C4=CN=CN4

>  <Isomeric SMILES>
CCO[C@H]1C2=CC=CC=C2[C@@H]3[C@]1(C3)C4=CN=CN4

>  <InChI Std. ID>
InChI=1S/C15H16N2O/c1-2-18-14-11-6-4-3-5-10(11)12-7-15(12,14)13-8-16-9-17-13/h3-6,8-9,12,14H,2,7H2,1H3,(H,16,17)/t12-,14+,15-/m1/s1

>  <InChI Key>
ASHFKBMVCDTQQO-VHDGCEQUSA-N

