
 CHEMBL111667

 33 34  0  0  0  0  0  0  0  0999 V2000
    1.7250    3.8745    0.0770 C   0  0  0  0  0
    3.0773    3.6438   -0.5407 C   0  0  0  0  0
    3.2576    3.6976   -1.7520 O   0  0  0  0  0
    4.0756    3.4129    0.3766 N   0  0  0  0  0
    5.4606    3.2087   -0.0114 C   0  0  0  0  0
    6.4097    4.3059    0.4847 C   0  0  0  0  0
    6.0370    5.7261    0.0032 C   0  0  0  0  0
    6.6370    6.7002    1.0266 C   0  0  0  0  0
    6.5965    5.8746    2.2748 C   0  0  0  0  0
    6.4694    4.5145    1.9762 C   0  0  0  0  0
    6.4843    3.5667    2.9893 C   0  0  0  0  0
    6.6077    3.9895    4.3182 C   0  0  0  0  0
    6.7218    5.3583    4.6093 C   0  0  0  0  0
    6.7253    6.3093    3.5824 C   0  0  0  0  0
    6.6115    2.9732    5.2362 O   0  0  0  0  0
    6.8120    3.3363    6.5963 C   0  0  0  0  0
    0.9499    3.5166   -0.6064 H   0  0  0  0  0
    1.5898    4.9446    0.2559 H   0  0  0  0  0
    1.6237    3.3313    1.0210 H   0  0  0  0  0
    3.8606    3.4396    1.3664 H   0  0  0  0  0
    5.5336    3.1311   -1.1016 H   0  0  0  0  0
    5.7547    2.2385    0.4039 H   0  0  0  0  0
    7.4272    4.0701    0.1449 H   0  0  0  0  0
    4.9483    5.8658   -0.0107 H   0  0  0  0  0
    6.3970    5.9243   -1.0120 H   0  0  0  0  0
    6.0389    7.6119    1.1083 H   0  0  0  0  0
    7.6724    6.9515    0.7748 H   0  0  0  0  0
    6.4194    2.5058    2.7676 H   0  0  0  0  0
    6.8212    5.7153    5.6293 H   0  0  0  0  0
    6.8349    7.3650    3.8116 H   0  0  0  0  0
    6.8355    2.4160    7.1879 H   0  0  0  0  0
    5.9828    3.9487    6.9652 H   0  0  0  0  0
    7.7723    3.8442    6.7351 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  4  1  0  0  0
  2  3  2  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  5  6  1  0  0  0
  5 21  1  0  0  0
  5 22  1  0  0  0
  6 10  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  7 25  1  0  0  0
  8  9  1  0  0  0
  8 26  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 14  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 28  1  0  0  0
 12 13  1  0  0  0
 12 15  1  0  0  0
 13 14  2  0  0  0
 13 29  1  0  0  0
 14 30  1  0  0  0
 15 16  1  0  0  0
 16 31  1  0  0  0
 16 32  1  0  0  0
 16 33  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL111667

>  <PubChem CID>
44340895

>  <Formula>
C13H17NO2

>  <Molecular Weight>
219.284000

>  <IUPAC Name>
N-[(6-methoxy-2,3-dihydro-1H-inden-1-yl)methyl]acetamide

>  <XlogP>
1.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
CC(=O)NCC1CCC2=C1C=C(C=C2)OC

>  <Isomeric SMILES>
CC(=O)NCC1CCC2=C1C=C(C=C2)OC

>  <InChI Std. ID>
InChI=1S/C13H17NO2/c1-9(15)14-8-11-4-3-10-5-6-12(16-2)7-13(10)11/h5-7,11H,3-4,8H2,1-2H3,(H,14,15)

>  <InChI Key>
MLAXPUOYXLGNNM-UHFFFAOYSA-N

