71117451
  -OEChem-05082414562D

 33 35  0     0  0  0  0  0  0999 V2000
   11.1279   -1.2320    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    1.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    1.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443    1.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -0.3047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1279    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1279    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1279    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6279   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6279    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279   -0.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6279    1.3660    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.1279    0.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1306    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3335    1.9750    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540    1.5826    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554    0.8923    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369    1.8940    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7369   -0.8941    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    0.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100   -1.0369    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3179   -0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3179    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9379    1.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7479    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 18  1  0  0  0  0
  2  8  2  0  0  0  0
  3  5  1  0  0  0  0
  3  7  1  0  0  0  0
  3  9  1  0  0  0  0
  4  6  1  0  0  0  0
  4  8  1  0  0  0  0
  4 12  1  0  0  0  0
  5  6  1  0  0  0  0
  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
  6 23  1  0  0  0  0
  6 24  1  0  0  0  0
  7  8  1  0  0  0  0
  7 10  2  0  0  0  0
  9 11  2  0  0  0  0
  9 25  1  0  0  0  0
 10 11  1  0  0  0  0
 10 26  1  0  0  0  0
 11 13  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 12 29  1  0  0  0  0
 13 14  3  0  0  0  0
 14 15  1  0  0  0  0
 15 16  2  0  0  0  0
 15 17  1  0  0  0  0
 16 18  1  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 20  2  0  0  0  0
 19 20  1  0  0  0  0
 19 32  1  0  0  0  0
 20 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
71117451

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
452

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccB7IQAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgBwAAAHwAAAAAADAjBngw+gJMMEADoEzV3VAiCgCA3AiAI2CG4ZNgIYPLAlbGUIQhghgDIyYcYgQAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-[2-(3-fluorophenyl)ethynyl]-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-[2-(3-fluorophenyl)ethynyl]-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-[2-(3-fluorophenyl)ethynyl]-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_NAME>
7-[2-(3-fluorophenyl)ethynyl]-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-[2-(3-fluorophenyl)ethynyl]-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-[2-(3-fluorophenyl)ethynyl]-2-methyl-3,4-dihydropyrrolo[1,2-a]pyrazin-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C16H13FN2O/c1-18-7-8-19-11-13(10-15(19)16(18)20)6-5-12-3-2-4-14(17)9-12/h2-4,9-11H,7-8H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
TWGRSWYFDPHHHQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
268.10119120

> <PUBCHEM_MOLECULAR_FORMULA>
C16H13FN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
268.28

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN1CCN2C=C(C=C2C1=O)C#CC3=CC(=CC=C3)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN1CCN2C=C(C=C2C1=O)C#CC3=CC(=CC=C3)F

> <PUBCHEM_CACTVS_TPSA>
25.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
268.10119120

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
20

> <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>
10  11  8
15  16  8
15  17  8
16  18  8
17  19  8
18  20  8
19  20  8
3  7  8
3  9  8
7  10  8
9  11  8

$$$$