43189603
  -OEChem-04242416002D

 26 27  0     1  0  0  0  0  0999 V2000
    2.0000    0.1379    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1279   -0.8621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.6668    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8550    0.8932    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.0573    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.5981   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -0.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.1379    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    1.0994    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.3621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    2.0499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    2.2561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1068    0.3820    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4409    1.3546    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -2.2561    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.7579    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.4821    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8540    0.4797    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4473    1.0120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.6721    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7301    2.5114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5367    1.7947    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3152    2.8455    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2  8  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 18  1  0  0  0  0
  4  5  1  0  0  0  0
  4 11  1  0  0  0  0
  4 17  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5 16  1  0  0  0  0
  6  7  2  0  0  0  0
  6  9  1  0  0  0  0
  7 10  1  0  0  0  0
  9 12  2  0  0  0  0
  9 19  1  0  0  0  0
 10 13  2  0  0  0  0
 10 20  1  0  0  0  0
 11 14  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
 12 13  1  0  0  0  0
 13 23  1  0  0  0  0
 14 15  2  0  0  0  0
 14 24  1  0  0  0  0
 15 25  1  0  0  0  0
 15 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
43189603

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
269

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgBAAAAHgIQAAAADCrBmCQwwILAAACIAiVSUACCAAAhBwAIiIGIZogIYDLB17GUIAhglADIyAcciICOAABAIAACAAAAAIBAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-(allylamino)-5-chloro-indolin-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
5-chloro-3-(prop-2-enylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
5-chloro-3-(prop-2-enylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_NAME>
5-chloro-3-(prop-2-enylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-chloranyl-3-(prop-2-enylamino)-1,3-dihydroindol-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
3-(allylamino)-5-chloro-oxindole

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H11ClN2O/c1-2-5-13-10-8-6-7(12)3-4-9(8)14-11(10)15/h2-4,6,10,13H,1,5H2,(H,14,15)

> <PUBCHEM_IUPAC_INCHIKEY>
OPPVRQRCFVPCDO-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
222.0559907

> <PUBCHEM_MOLECULAR_FORMULA>
C11H11ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
222.67

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CCNC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CCNC1C2=C(C=CC(=C2)Cl)NC1=O

> <PUBCHEM_CACTVS_TPSA>
41.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
222.0559907

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
15

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  13  8
12  13  8
5  4  3
6  7  8
6  9  8
7  10  8
9  12  8

$$$$