10220503
  -OEChem-04252400402D

 37 39  0     1  0  0  0  0  0999 V2000
    6.9103   -3.4878    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.6830    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6830    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -0.6830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    4.5981    0.1830    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    5.5981    0.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -1.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9103   -1.8783    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9641   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4939   -2.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.1830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    3.6830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9191   -0.9030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7585    0.7819    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1807   -0.0290    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7057    0.7936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1215    0.7907    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5200    0.1004    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -1.8730    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690    1.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4477   -1.5690    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6593   -1.3114    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548   -3.0977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9548   -2.2683    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6951   -3.4930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981   -4.3030    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4766    3.0753    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0781    3.7656    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3100    4.2200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631    3.9930    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    3.1461    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  1 13  1  0  0  0  0
  2 16  2  0  0  0  0
  3  8  1  0  0  0  0
  3 16  1  0  0  0  0
  3 26  1  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  7  1  0  0  0  0
  4 19  1  6  0  0  0
  5  6  1  0  0  0  0
  5  8  1  6  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  2  0  0  0  0
  7 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 11  1  0  0  0  0
  9 12  1  0  0  0  0
 10 14  2  0  0  0  0
 10 25  1  0  0  0  0
 11 13  1  0  0  0  0
 11 27  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  2  0  0  0  0
 13 29  1  0  0  0  0
 13 30  1  0  0  0  0
 14 15  1  0  0  0  0
 14 31  1  0  0  0  0
 15 32  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
 18 35  1  0  0  0  0
 18 36  1  0  0  0  0
 18 37  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
10220503

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
318

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
4

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAGAAAASAAAAAwAAAAAAAAAEgBAAAAHgAQAAAADQThmAYyBoLABACIAiFSEAACCAAgIAAIiIEOCIgMJiKEsRqGOCCk1hGIqAeQwPAOgAABAAAYAAAAAAIAADAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[[(1R,2R)-2-(2,3-dihydrobenzofuran-4-yl)cyclopropyl]methyl]propanamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[[(1R,2R)-2-(2,3-dihydrobenzofuran-4-yl)cyclopropyl]methyl]propanamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[[(1<I>R</I>,2<I>R</I>)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide

> <PUBCHEM_IUPAC_NAME>
N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[[(1R,2R)-2-(2,3-dihydro-1-benzofuran-4-yl)cyclopropyl]methyl]propanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[[(1R,2R)-2-coumaran-4-ylcyclopropyl]methyl]propionamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H19NO2/c1-2-15(17)16-9-10-8-13(10)11-4-3-5-14-12(11)6-7-18-14/h3-5,10,13H,2,6-9H2,1H3,(H,16,17)/t10-,13+/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
PTOIAAWZLUQTIO-GXFFZTMASA-N

> <PUBCHEM_XLOGP3_AA>
2.2

> <PUBCHEM_EXACT_MASS>
245.141578849

> <PUBCHEM_MOLECULAR_FORMULA>
C15H19NO2

> <PUBCHEM_MOLECULAR_WEIGHT>
245.32

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCC(=O)NCC1CC1C2=C3CCOC3=CC=C2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCC(=O)NC[C@@H]1C[C@H]1C2=C3CCOC3=CC=C2

> <PUBCHEM_CACTVS_TPSA>
38.3

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
245.141578849

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
18

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
2

> <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  14  8
12  15  8
14  15  8
4  19  6
5  8  6
7  10  8
7  9  8
9  12  8

$$$$