132327096
  -OEChem-06192423312D

 34 36  0     1  0  0  0  0  0999 V2000
    5.1660   -1.9503    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0321   -0.4503    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    0.9157    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.1660    0.0497    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.1660    0.0497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    1.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5321    2.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8000    2.4157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6660    2.9157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    0.8810    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9061    2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0321   -1.4503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.3949    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    2.4365    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8981   -1.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8981   -2.9503    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0056   -0.5492    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5834    0.2617    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0584   -0.5609    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    0.8331    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    1.5233    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1426    2.3080    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7441    2.9983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5690   -0.1403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0646    3.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2675    3.3906    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    0.2611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9132    3.5703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    1.0828    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4643    2.7486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -1.6403    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3612   -3.2603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.4350   -3.2603    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  2  0  0  0  0
  2  4  1  0  0  0  0
  2 13  1  0  0  0  0
  2 25  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3  6  1  0  0  0  0
  3  7  1  0  0  0  0
  4  5  1  0  0  0  0
  4 18  1  0  0  0  0
  5 19  1  0  0  0  0
  5 20  1  0  0  0  0
  6  8  1  0  0  0  0
  6 21  1  0  0  0  0
  6 22  1  0  0  0  0
  7  9  1  0  0  0  0
  7 11  2  0  0  0  0
  8 10  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  1  0  0  0  0
  9 12  2  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 14  1  0  0  0  0
 11 28  1  0  0  0  0
 12 15  1  0  0  0  0
 12 29  1  0  0  0  0
 13 16  1  0  0  0  0
 14 15  2  0  0  0  0
 14 30  1  0  0  0  0
 15 31  1  0  0  0  0
 16 17  2  0  0  0  0
 16 32  1  0  0  0  0
 17 33  1  0  0  0  0
 17 34  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132327096

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
338

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByIAAAAAAAAAAAAAAAGAAAAAAAAAAwYAAAAAAAAADBAAAAHgAQAAAADijBmAQwAILAAACIAiFSEACCAAAgAAAIiIAIAMgIICKAkRGEIAAglgCIiIcQgMAPgAAAAAAQAAAAAAQAACAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-spiro[cyclopropane-2,1'-tetralin]-1-ylprop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(1'-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]yl)-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-spiro[2,3-dihydro-1<I>H</I>-naphthalene-4,2&apos;-cyclopropane]-1&apos;-ylprop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylprop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-spiro[2,3-dihydro-1H-naphthalene-4,2'-cyclopropane]-1'-ylprop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-spiro[cyclopropane-2,1'-tetralin]-1-ylacrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17NO/c1-2-14(17)16-13-10-15(13)9-5-7-11-6-3-4-8-12(11)15/h2-4,6,8,13H,1,5,7,9-10H2,(H,16,17)

> <PUBCHEM_IUPAC_INCHIKEY>
WXUPSFZUUJSXCK-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3

> <PUBCHEM_EXACT_MASS>
227.131014166

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17NO

> <PUBCHEM_MOLECULAR_WEIGHT>
227.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1CC12CCCC3=CC=CC=C23

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1CC12CCCC3=CC=CC=C23

> <PUBCHEM_CACTVS_TPSA>
29.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
227.131014166

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <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>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
11  14  8
12  15  8
14  15  8
4  2  3
3  6  3
7  11  8
7  9  8
9  12  8

$$$$
