
 2-Benzylidene-1,2-dihydro-indol-3-one

 28 30  0  0  0  0  0  0  0  0999 V2000
   -1.5127    0.2218    0.0109 C   0  0  0  0  0
   -0.9450   -0.7020    0.8862 C   0  0  0  0  0
    0.4407   -0.8747    0.9186 C   0  0  0  0  0
    1.2695   -0.1336    0.0662 C   0  0  0  0  0
    0.6901    0.8050   -0.7961 C   0  0  0  0  0
   -0.6957    0.9779   -0.8276 C   0  0  0  0  0
    2.7296   -0.2724    0.0901 C   0  0  0  0  0
    3.3860   -1.4384    0.0616 C   0  0  0  0  0
    4.9001   -1.4630    0.0495 C   0  0  0  0  0
    5.6725   -0.5314    0.1502 O   0  0  0  0  0
    5.2439   -2.8793   -0.1565 C   0  0  0  0  0
    6.4800   -3.4831   -0.2720 C   0  0  0  0  0
    6.4902   -4.8630   -0.4775 C   0  0  0  0  0
    5.2833   -5.5873   -0.5547 C   0  0  0  0  0
    4.0424   -4.9460   -0.4335 C   0  0  0  0  0
    4.0328   -3.5784   -0.2573 C   0  0  0  0  0
    2.9365   -2.7435   -0.0306 N   0  0  0  0  0
   -2.5906    0.3598   -0.0110 H   0  0  0  0  0
   -1.5796   -1.2816    1.5516 H   0  0  0  0  0
    0.8675   -1.5829    1.6259 H   0  0  0  0  0
    1.3128    1.4063   -1.4550 H   0  0  0  0  0
   -1.1360    1.7063   -1.5039 H   0  0  0  0  0
    3.2923    0.6591    0.1136 H   0  0  0  0  0
    7.3952   -2.9059   -0.2028 H   0  0  0  0  0
    7.4387   -5.3879   -0.5723 H   0  0  0  0  0
    5.3175   -6.6653   -0.7019 H   0  0  0  0  0
    3.1208   -5.5165   -0.4717 H   0  0  0  0  0
    2.0353   -2.9201   -0.4527 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 18  1  0  0  0
  2  3  1  0  0  0
  2 19  1  0  0  0
  3  4  2  0  0  0
  3 20  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 21  1  0  0  0
  6 22  1  0  0  0
  7  8  2  0  0  0
  7 23  1  0  0  0
  8 17  1  0  0  0
  8  9  1  0  0  0
  9 11  1  0  0  0
  9 10  2  0  0  0
 11 16  1  0  0  0
 11 12  2  0  0  0
 12 13  1  0  0  0
 12 24  1  0  0  0
 13 14  2  0  0  0
 13 25  1  0  0  0
 14 15  1  0  0  0
 14 26  1  0  0  0
 15 16  2  0  0  0
 15 27  1  0  0  0
 16 17  1  0  0  0
 17 28  1  0  0  0
M  END

>  <Chemical Name>
2-Benzylidene-1,2-dihydro-indol-3-one

>  <PubChem CID>
2297827

>  <Formula>
C15H11NO

>  <Molecular Weight>
221.259000

>  <IUPAC Name>
(2Z)-2-benzylidene-1H-indol-3-one

>  <XlogP>
3.6

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1=CC=C(C=C1)C=C2C(=O)C3=CC=CC=C3N2

>  <Isomeric SMILES>
C1=CC=C(C=C1)/C=C\2/C(=O)C3=CC=CC=C3N2

>  <InChI Std. ID>
InChI=1S/C15H11NO/c17-15-12-8-4-5-9-13(12)16-14(15)10-11-6-2-1-3-7-11/h1-10,16H/b14-10-

>  <InChI Key>
AKFPHXCDBVJHSP-UVTDQMKNSA-N

