903
  -OEChem-05302104122D

 30 31  0     0  0  0  0  0  0999 V2000
    2.5369   -0.3373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.3274    1.0366    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -2.1421    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.6811    1.5747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0812   -0.5326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3919    0.4179    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3704    0.6241    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6648   -1.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.3373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -0.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4030   -1.8373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6596    1.7809    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9702    2.7314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3713    1.0376    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7781    0.5053    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3910    0.0045    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9842    0.5368    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2848   -1.3373    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2738   -2.7314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    0.2827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.9573    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2670    2.0361    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.1473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5596    2.5388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1628    3.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3809    2.9240    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.6473    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 30  1  0  0  0  0
  2 15  2  0  0  0  0
  3  8  1  0  0  0  0
  3 10  1  0  0  0  0
  3 22  1  0  0  0  0
  4  9  1  0  0  0  0
  4 15  1  0  0  0  0
  4 25  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 10  2  0  0  0  0
  6  9  1  0  0  0  0
  6 17  1  0  0  0  0
  6 18  1  0  0  0  0
  7  8  2  0  0  0  0
  7 11  1  0  0  0  0
  8 12  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 11 13  2  0  0  0  0
 11 23  1  0  0  0  0
 12 14  2  0  0  0  0
 12 24  1  0  0  0  0
 13 14  1  0  0  0  0
 14 26  1  0  0  0  0
 15 16  1  0  0  0  0
 16 27  1  0  0  0  0
 16 28  1  0  0  0  0
 16 29  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
903

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
257

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
3

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAwAAAAAAAAAFgB8AAAHgAQCAAADAzBngQ+xvLJkgCoAzV3VACCgCAxIiAI2aA+bJgIJuLCkZOEcAhk1hHI2Aew0PIOgEABAAACAAAAgAIAAAQAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[2-(5-hydroxy-1<I>H</I>-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_NAME>
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[2-(5-oxidanyl-1H-indol-3-yl)ethyl]ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[2-(5-hydroxy-1H-indol-3-yl)ethyl]acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14N2O2/c1-8(15)13-5-4-9-7-14-12-3-2-10(16)6-11(9)12/h2-3,6-7,14,16H,4-5H2,1H3,(H,13,15)

> <PUBCHEM_IUPAC_INCHIKEY>
MVAWJSIDNICKHF-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
0.5

> <PUBCHEM_EXACT_MASS>
218.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
218.25

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)NCCC1=CNC2=C1C=C(C=C2)O

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)NCCC1=CNC2=C1C=C(C=C2)O

> <PUBCHEM_CACTVS_TPSA>
65.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
218.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
16

> <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>
11  13  8
12  14  8
13  14  8
3  10  8
3  8  8
5  10  8
5  7  8
7  11  8
7  8  8
8  12  8

$$$$
