2512520
  -OEChem-06192423162D

 23 23  0     0  0  0  0  0  0999 V2000
    6.3402    1.3694    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.1646   -0.2487    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7634    0.7694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.5784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1756   -0.0396    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3666   -0.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9846   -0.6274    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6756   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6756   -1.5784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5878    0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7579    0.6649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3457    1.4739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0566   -0.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8002   -0.8796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5510   -0.8796    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2946   -0.0904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0691   -1.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7404   -2.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   -2.1950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2820   -1.7073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5112    1.3358    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5166    2.0699    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7884    1.7457    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3  5  1  0  0  0  0
  3 11  1  0  0  0  0
  3 21  1  0  0  0  0
  4 10  3  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7  9  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8  9  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 11 12  1  0  0  0  0
 12 22  1  0  0  0  0
 12 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
2512520

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
225

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIAAEAAAAAAAAAAAAAAAAAYAAAAAAAAAAAAAAAAAAAAAAHgIQAAAADIuBgEAAAALAAAAYBAEQEAAAAAAAAAAAAAAAAABAgAIAgABEAAAAFACAAAkQAAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-chloro-N-(1-cyanocyclopentyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-chloro-N-(1-cyanocyclopentyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-chloro-<I>N</I>-(1-cyanocyclopentyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-chloro-N-(1-cyanocyclopentyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-chloranyl-N-(1-cyanocyclopentyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-chloro-N-(1-cyanocyclopentyl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H11ClN2O/c9-5-7(12)11-8(6-10)3-1-2-4-8/h1-5H2,(H,11,12)

> <PUBCHEM_IUPAC_INCHIKEY>
UVKBLHXZVPGUPL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1

> <PUBCHEM_EXACT_MASS>
186.0559907

> <PUBCHEM_MOLECULAR_FORMULA>
C8H11ClN2O

> <PUBCHEM_MOLECULAR_WEIGHT>
186.64

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCC(C1)(C#N)NC(=O)CCl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCC(C1)(C#N)NC(=O)CCl

> <PUBCHEM_CACTVS_TPSA>
52.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
186.0559907

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
12

> <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

$$$$
