70043926
  -OEChem-05122423352D

 25 27  0     0  0  0  0  0  0999 V2000
    3.6624   -1.6355    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0274    0.0967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7183    1.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7029    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0274    0.0967    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3219   -0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3424   -0.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3364    1.0477    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    1.6355    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7123   -0.6881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3518    1.2800    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7328   -0.4794    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0547    0.5113    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9426    1.8518    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1806    1.6139    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6208    1.0018    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4518    0.2216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7081   -0.5672    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3034   -1.0991    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5274    2.2555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5139   -1.2755    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5365    1.8718    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1459   -0.9417    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6607    0.6425    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  2  0  0  0  0
  2  5  1  0  0  0  0
  2  9  1  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  4 16  1  0  0  0  0
  5  8  1  0  0  0  0
  6  7  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  9 10  2  0  0  0  0
  9 12  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 22  1  0  0  0  0
 12 14  2  0  0  0  0
 12 23  1  0  0  0  0
 13 14  1  0  0  0  0
 13 24  1  0  0  0  0
 14 25  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
70043926

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
251

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB4AAAHgAAAAAADAzBngQ8wLMMGACoA7R3RACCgCA3AiAI2CG4ZNgIIPLAlbGEIQhggADIyQcYicCeAAAAAAAAAAAAAAAAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_CAS_NAME>
2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
2,3-dihydro-1<I>H</I>-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_NAME>
2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2,3-dihydro-1H-pyrido[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2,3-dihydro-1H-pyrid[1,2-a]indol-4-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H11NO/c14-11-6-3-4-9-8-10-5-1-2-7-13(10)12(9)11/h1-2,5,7-8H,3-4,6H2

> <PUBCHEM_IUPAC_INCHIKEY>
SYXXIYMVBSGPDV-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.9

> <PUBCHEM_EXACT_MASS>
185.084063974

> <PUBCHEM_MOLECULAR_FORMULA>
C12H11NO

> <PUBCHEM_MOLECULAR_WEIGHT>
185.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CC2=C(C(=O)C1)N3C=CC=CC3=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CC2=C(C(=O)C1)N3C=CC=CC3=C2

> <PUBCHEM_CACTVS_TPSA>
21.5

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
185.084063974

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
11  13  8
12  14  8
13  14  8
2  11  8
2  5  8
2  9  8
3  10  8
3  5  8
9  10  8
9  12  8

$$$$