178052
  -OEChem-05042413422D

 30 31  0     1  0  0  0  0  0999 V2000
    4.4487   -0.3512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6691    0.7420    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -2.3512    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5827    1.1488    0.0000 C   0  0  1  0  0  0  0  0  0  0  0  0
    3.4782    2.1433    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5000    2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    1.4852    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487    0.6488    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3147   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808   -0.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4487   -2.3512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -0.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0468   -1.8512    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5502    0.5296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0982    2.1433    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5430    2.7599    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6916    2.9409    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9336    2.6034    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4984    1.8496    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851    1.0244    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5402    0.1356    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0593    0.5411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6608    1.2314    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1808    0.2688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1387   -1.8143    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9118   -2.6612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7587   -2.8882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -0.5412    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5837   -2.1612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
  2  4  1  0  0  0  0
  2  7  1  0  0  0  0
  2 22  1  0  0  0  0
  3 10  1  0  0  0  0
  3 14  2  0  0  0  0
  4  5  1  0  0  0  0
  4  8  1  1  0  0  0
  4 15  1  0  0  0  0
  5  6  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6  7  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 23  1  0  0  0  0
  8 24  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 10 12  1  0  0  0  0
 11 13  2  0  0  0  0
 11 25  1  0  0  0  0
 12 26  1  0  0  0  0
 12 27  1  0  0  0  0
 12 28  1  0  0  0  0
 13 14  1  0  0  0  0
 13 29  1  0  0  0  0
 14 30  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
178052

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
175

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceBzIAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHgAQAAAACCzhlgY+hpLIFACgATRnRASCiCAxYiAI2KA/bJgOJuLEsZuHOCjk0BHY6AewEAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

> <PUBCHEM_IUPAC_CAS_NAME>
2-methyl-3-[[(2S)-2-pyrrolidinyl]methoxy]pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-methyl-3-[[(2<I>S</I>)-pyrrolidin-2-yl]methoxy]pyridine

> <PUBCHEM_IUPAC_NAME>
2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-methyl-3-[[(2S)-pyrrolidin-2-yl]methoxy]pyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C11H16N2O/c1-9-11(5-3-6-12-9)14-8-10-4-2-7-13-10/h3,5-6,10,13H,2,4,7-8H2,1H3/t10-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
YRVIKLBSVVNSHF-JTQLQIEISA-N

> <PUBCHEM_XLOGP3_AA>
1.3

> <PUBCHEM_EXACT_MASS>
192.126263138

> <PUBCHEM_MOLECULAR_FORMULA>
C11H16N2O

> <PUBCHEM_MOLECULAR_WEIGHT>
192.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(C=CC=N1)OCC2CCCN2

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(C=CC=N1)OC[C@@H]2CCCN2

> <PUBCHEM_CACTVS_TPSA>
34.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
192.126263138

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
14

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
1

> <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
13  14  8
3  10  8
3  14  8
4  8  5
9  10  8
9  11  8

$$$$