
 CID 69467219

 30 32  0  0  0  0  0  0  0  0999 V2000
    0.2995    0.9842    2.0765 C   0  0  0  0  0
   -0.1387   -0.0402    1.0705 C   0  0  0  0  0
    1.3293    0.2875    1.2172 C   0  0  0  0  0
    2.2648   -0.6905    1.8429 C   0  0  0  0  0
    1.8641   -1.6299    2.5155 O   0  0  0  0  0
    3.7048   -0.4095    1.6118 C   0  0  0  0  0
    4.6366   -1.2302    2.1187 C   0  0  0  0  0
    6.0807   -1.0397    1.9355 C   0  0  0  0  0
    6.6847    0.2174    1.8826 C   0  0  0  0  0
    8.0745    0.3325    1.7222 C   0  0  0  0  0
    8.7073    1.5865    1.6514 C   0  0  0  0  0
   10.0883    1.6706    1.4875 C   0  0  0  0  0
   10.8410    0.5054    1.3963 C   0  0  0  0  0
   10.2087   -0.7394    1.4710 C   0  0  0  0  0
    8.8342   -0.8522    1.6334 C   0  0  0  0  0
    8.2720   -2.0706    1.7035 N   0  0  0  0  0
    6.9269   -2.1402    1.8575 C   0  0  0  0  0
    0.0839    2.0258    1.8701 H   0  0  0  0  0
    0.2340    0.7154    3.1258 H   0  0  0  0  0
   -0.6498    0.3052    0.1796 H   0  0  0  0  0
   -0.4951   -0.9951    1.4425 H   0  0  0  0  0
    1.7531    0.8775    0.4090 H   0  0  0  0  0
    3.9537    0.4620    1.0210 H   0  0  0  0  0
    4.3390   -2.1122    2.6860 H   0  0  0  0  0
    6.0840    1.1179    1.9766 H   0  0  0  0  0
    8.1272    2.5036    1.7221 H   0  0  0  0  0
   10.5746    2.6414    1.4312 H   0  0  0  0  0
   11.9192    0.5582    1.2685 H   0  0  0  0  0
   10.8037   -1.6469    1.4015 H   0  0  0  0  0
    6.5379   -3.1547    1.9092 H   0  0  0  0  0
  1  3  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
  4  6  1  0  0  0
  4  5  2  0  0  0
  6  7  2  0  0  0
  6 23  1  0  0  0
  7  8  1  0  0  0
  7 24  1  0  0  0
  8 17  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
  9 25  1  0  0  0
 10 15  1  0  0  0
 10 11  2  0  0  0
 11 12  1  0  0  0
 11 26  1  0  0  0
 12 13  2  0  0  0
 12 27  1  0  0  0
 13 14  1  0  0  0
 13 28  1  0  0  0
 14 15  2  0  0  0
 14 29  1  0  0  0
 15 16  1  0  0  0
 16 17  2  0  0  0
 17 30  1  0  0  0
M  END

>  <Chemical Name>
CID 69467219

>  <PubChem CID>
69467219

>  <Formula>
C15H13NO

>  <Molecular Weight>
223.275000

>  <IUPAC Name>
1-cyclopropyl-3-quinolin-3-ylprop-2-en-1-one

>  <XlogP>
2.700

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CC1C(=O)C=CC2=CC3=CC=CC=C3N=C2

>  <Isomeric SMILES>
C1CC1C(=O)C=CC2=CC3=CC=CC=C3N=C2

>  <InChI Std. ID>
InChI=1S/C15H13NO/c17-15(12-6-7-12)8-5-11-9-13-3-1-2-4-14(13)16-10-11/h1-5,8-10,12H,6-7H2

>  <InChI Key>
BNUARCYGDSEHNY-UHFFFAOYSA-N

