71464287
  -OEChem-05092400572D

 28 30  0     1  0  0  0  0  0999 V2000
    3.4030   -3.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369   -1.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    0.0000    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5369   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -0.1953    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -2.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2152   -1.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7988   -1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.3100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3249    0.0826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9264   -0.6077    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078    0.3941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4078   -2.3940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4188   -1.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.1900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8059    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030    3.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  2  0  0  0  0
  2  4  1  0  0  0  0
  2  6  1  0  0  0  0
  2  8  1  0  0  0  0
  3  5  1  0  0  0  0
  3  9  1  0  0  0  0
  3 20  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4 17  1  0  0  0  0
  5 18  1  0  0  0  0
  5 19  1  0  0  0  0
  6  9  1  0  0  0  0
  6 10  2  0  0  0  0
  7 12  2  0  0  0  0
  7 13  1  0  0  0  0
  8 11  2  0  0  0  0
  8 21  1  0  0  0  0
 10 11  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 12 14  1  0  0  0  0
 12 24  1  0  0  0  0
 13 15  2  0  0  0  0
 13 25  1  0  0  0  0
 14 16  2  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 15 27  1  0  0  0  0
 16 28  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71464287

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
273

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgBwAAAHgAQAAAADCjBngQ8gJPMEACoAzV3VACCgCA3AiAI2KG4ZNgIYPLAlbGUIQhglgDIyYcYgYAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-phenyl-3,4-dihydro-2<I>H</I>-pyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_NAME>
4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-phenyl-3,4-dihydro-2H-pyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H12N2O/c16-13-11-7-4-8-15(11)12(9-14-13)10-5-2-1-3-6-10/h1-8,12H,9H2,(H,14,16)

> <PUBCHEM_IUPAC_INCHIKEY>
YGTMIZFIXYNQSN-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.7

> <PUBCHEM_EXACT_MASS>
212.094963011

> <PUBCHEM_MOLECULAR_FORMULA>
C13H12N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
212.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1C(N2C=CC=C2C(=O)N1)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1C(N2C=CC=C2C(=O)N1)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
34

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
212.094963011

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  11  8
12  14  8
13  15  8
14  16  8
15  16  8
2  6  8
2  8  8
4  7  3
6  10  8
7  12  8
7  13  8
8  11  8

$$$$