9207780
  -OEChem-06192423182D

 34 36  0     0  0  0  0  0  0999 V2000
    2.0000   -1.0152    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.1962   -1.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.0152    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.5152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    0.4848    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2731   -1.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6551   -1.6030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -2.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9641   -2.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301   -0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.4848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    0.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.0152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6881    0.9916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4802    2.0263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.5152    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6800    2.0332    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5821    2.5540    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8395   -1.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5831   -1.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3451   -1.0661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0887   -1.8552    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8993   -3.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5706   -2.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3576   -2.6830    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0289   -3.1707    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    0.7948    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1548    0.6754    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0206    2.3301    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2646   -0.0403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4675   -0.0403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1419    2.3412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5845    3.1740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 17  1  0  0  0  0
  2 11  2  0  0  0  0
  3 14  2  0  0  0  0
  4  6  1  0  0  0  0
  4 12  1  0  0  0  0
  4 14  1  0  0  0  0
  5 11  1  0  0  0  0
  5 13  1  0  0  0  0
  5 28  1  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 11  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 10  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  2  0  0  0  0
 13 16  2  0  0  0  0
 14 17  1  0  0  0  0
 15 18  1  0  0  0  0
 15 29  1  0  0  0  0
 16 19  1  0  0  0  0
 16 30  1  0  0  0  0
 17 31  1  0  0  0  0
 17 32  1  0  0  0  0
 18 19  2  0  0  0  0
 18 33  1  0  0  0  0
 19 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
9207780

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
393

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAYAAAAA8QAAAAAAAAACxAAAAHgIQAAAADIuBkEAwwIPAAACIACVSUACCAAAhAgAIiAGAdIhIYDLAkbHUIAhglADIyAcYCAAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-(2-chloroacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
4-(2-chloro-1-oxoethyl)-2-spiro[1H-quinoxaline-3,1'-cyclopentane]one

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-(2-chloroacetyl)spiro[1<I>H</I>-quinoxaline-3,1&apos;-cyclopentane]-2-one

> <PUBCHEM_IUPAC_NAME>
4-(2-chloroacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-(2-chloranylethanoyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-(2-chloroacetyl)spiro[1H-quinoxaline-3,1'-cyclopentane]-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C14H15ClN2O2/c15-9-12(18)17-11-6-2-1-5-10(11)16-13(19)14(17)7-3-4-8-14/h1-2,5-6H,3-4,7-9H2,(H,16,19)

> <PUBCHEM_IUPAC_INCHIKEY>
BTIMCYNWXHLWGI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
278.0822054

> <PUBCHEM_MOLECULAR_FORMULA>
C14H15ClN2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
278.73

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC2(C1)C(=O)NC3=CC=CC=C3N2C(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
49.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
278.0822054

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
12  13  8
12  15  8
13  16  8
15  18  8
16  19  8
18  19  8

$$$$
