27134136
  -OEChem-05062405022D

 36 38  0     0  0  0  0  0  0999 V2000
    6.3981   -2.3339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8680   -2.3580    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.1301   -2.3339    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641    1.1661    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.3686    2.1606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1776    0.7594    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3468    2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8468    1.5025    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981    0.6661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3981   -0.3339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -0.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320   -1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -0.2992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2641   -1.8339    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6381   -2.3686    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.8131    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.8547    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.8614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3038    2.7772    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7486    2.1606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8676    0.2224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6792    0.3950    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9132    2.6207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1552    2.9582    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2616    1.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3484    1.8670    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1860    1.2487    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7875    0.5585    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8010   -0.5239    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453    0.3207    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6453   -2.9885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1963   -0.5010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3079   -1.3232    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4619   -1.5534    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6921   -2.3995    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 13  1  0  0  0  0
  1 15  1  0  0  0  0
  2 18  1  0  0  0  0
  2 19  1  0  0  0  0
  3 15  2  0  0  0  0
  4  5  1  0  0  0  0
  4  6  1  0  0  0  0
  4  9  1  0  0  0  0
  5  7  1  0  0  0  0
  5 20  1  0  0  0  0
  5 21  1  0  0  0  0
  6  8  1  0  0  0  0
  6 22  1  0  0  0  0
  6 23  1  0  0  0  0
  7  8  1  0  0  0  0
  7 24  1  0  0  0  0
  7 25  1  0  0  0  0
  8 26  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  2  0  0  0  0
 11 13  2  0  0  0  0
 11 14  1  0  0  0  0
 12 15  1  0  0  0  0
 12 30  1  0  0  0  0
 13 16  1  0  0  0  0
 14 17  2  0  0  0  0
 14 31  1  0  0  0  0
 16 18  2  0  0  0  0
 16 32  1  0  0  0  0
 17 18  1  0  0  0  0
 17 33  1  0  0  0  0
 19 34  1  0  0  0  0
 19 35  1  0  0  0  0
 19 36  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
27134136

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
374

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceByMAAAAAAAAAAAAAAAAAAAAWAAAAAwQAAAAAAAAACBAAAAHgAAAAAADATBmAYyDoMABACIAiDSCACCCAAgIAAIiAAOCMgMJyKEsRuGOiClwBWIqQew4KwOIAAACAAIAABAAAAQABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
7-methoxy-4-(pyrrolidin-1-ylmethyl)chromen-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
7-methoxy-4-(1-pyrrolidinylmethyl)-1-benzopyran-2-one

> <PUBCHEM_IUPAC_NAME_MARKUP>
7-methoxy-4-(pyrrolidin-1-ylmethyl)chromen-2-one

> <PUBCHEM_IUPAC_NAME>
7-methoxy-4-(pyrrolidin-1-ylmethyl)chromen-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
7-methoxy-4-(pyrrolidin-1-ylmethyl)chromen-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
7-methoxy-4-(pyrrolidinomethyl)coumarin

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C15H17NO3/c1-18-12-4-5-13-11(10-16-6-2-3-7-16)8-15(17)19-14(13)9-12/h4-5,8-9H,2-3,6-7,10H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
HNYLOCHZRWGDTI-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3>
2.2

> <PUBCHEM_EXACT_MASS>
259.12084340

> <PUBCHEM_MOLECULAR_FORMULA>
C15H17NO3

> <PUBCHEM_MOLECULAR_WEIGHT>
259.30

> <PUBCHEM_OPENEYE_CAN_SMILES>
COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCC3

> <PUBCHEM_OPENEYE_ISO_SMILES>
COC1=CC2=C(C=C1)C(=CC(=O)O2)CN3CCCC3

> <PUBCHEM_CACTVS_TPSA>
38.8

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
259.12084340

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
1  13  8
1  15  8
10  11  8
10  12  8
11  13  8
11  14  8
12  15  8
13  16  8
14  17  8
16  18  8
17  18  8

$$$$