31365
  -OEChem-04232403032D

 26 26  0     1  0  0  0  0  0999 V2000
    4.0000   -0.7500    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660    1.4820    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.3660    0.6160    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.0000    0.2500    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5000    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660   -1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3660    0.6160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    1.1160    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8660   -1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.9820    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4011    0.0895    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0826    1.3281    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3923    1.7266    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8410   -1.5146    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8410   -0.7175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9174    0.9040    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6077    0.5054    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3291   -1.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5560   -2.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4030   -2.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5369    2.2920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    2.5190    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    1.6720    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    1.1530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6760    0.0791    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  4  1  0  0  0  0
  1  5  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3 25  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  7  1  0  0  0  0
  4  8  1  0  0  0  0
  5  6  1  0  0  0  0
  5 12  1  0  0  0  0
  6  9  1  0  0  0  0
  6 13  1  0  0  0  0
  6 14  1  0  0  0  0
  7 10  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  9 11  1  0  0  0  0
  9 17  1  0  0  0  0
  9 18  1  0  0  0  0
 10 19  1  0  0  0  0
 10 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
31365

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
170

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByMAAAAAAAAAAAAAAAEgAAAAAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADFShgAICAABABAAIAAEQEAIAAAAAAAAAAAFAAAACABYAgAQDAAAGIAAAAAGYiAAOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-ethyl-3-propyl-oxirane-2-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-ethyl-3-propyl-2-oxiranecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-ethyl-3-propyloxirane-2-carboxamide

> <PUBCHEM_IUPAC_NAME>
2-ethyl-3-propyloxirane-2-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-ethyl-3-propyl-oxirane-2-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-ethyl-3-propyl-oxirane-2-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C8H15NO2/c1-3-5-6-8(4-2,11-6)7(9)10/h6H,3-5H2,1-2H3,(H2,9,10)

> <PUBCHEM_IUPAC_INCHIKEY>
WBLPIVIXQOFTPQ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
0.9

> <PUBCHEM_EXACT_MASS>
157.110278721

> <PUBCHEM_MOLECULAR_FORMULA>
C8H15NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
157.21

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCCC1C(O1)(CC)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCCC1C(O1)(CC)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
55.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
157.110278721

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
2

> <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>
4  7  3
5  6  3

$$$$