132317520
  -OEChem-06192423292D

 33 35  0     1  0  0  0  0  0999 V2000
    3.8000    2.1830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -1.3170    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.6660    0.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660   -2.3170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1660   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1660   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000   -0.8170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061   -1.3516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.7177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.8378    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    0.2038    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2649   -2.1565    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834   -2.9710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0584   -3.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2737   -3.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7486   -2.9710    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441   -1.3996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426   -0.7093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    0.0754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132   -1.9716    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    1.3376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643   -1.1499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    0.5159    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0690    3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9951    3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4 18  1  0  0  0  0
  5  6  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 23  1  0  0  0  0
  7 24  1  0  0  0  0
  8 10  1  0  0  0  0
  8 11  2  0  0  0  0
  9 25  1  0  0  0  0
  9 26  1  0  0  0  0
 10 12  2  0  0  0  0
 11 14  1  0  0  0  0
 11 27  1  0  0  0  0
 12 15  1  0  0  0  0
 12 28  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 29  1  0  0  0  0
 15 30  1  0  0  0  0
 16 17  2  0  0  0  0
 16 31  1  0  0  0  0
 17 32  1  0  0  0  0
 17 33  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132317520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
324

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAGAAAAAAAAAA8QAAAAAAAAACxAAAAHgAAAAAACCjBkAQwwIMAAACIACVSUACCAAAhAgAIiAAIdMgIYCLAkZGUIAhghgDIyIcQAAAAAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_CAS_NAME>
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)-2-propen-1-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_NAME>
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(4-cyclopropyl-2,3-dihydroquinoxalin-1-yl)prop-2-en-1-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H16N2O/c1-2-14(17)16-10-9-15(11-7-8-11)12-5-3-4-6-13(12)16/h2-6,11H,1,7-10H2

> <PUBCHEM_IUPAC_INCHIKEY>
CUBKWMDSUKYFPQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.3

> <PUBCHEM_EXACT_MASS>
228.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C14H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
228.29

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)N1CCN(C2=CC=CC=C21)C3CC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)N1CCN(C2=CC=CC=C21)C3CC3

> <PUBCHEM_CACTVS_TPSA>
23.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
228.126263138

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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  12  8
11  14  8
12  15  8
14  15  8
8  10  8
8  11  8

$$$$
