75567
  -OEChem-11232503292D

 23 24  0     0  0  0  0  0  0999 V2000
    2.8660    0.7306    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.2694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3660    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3660    2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6750    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0570    1.3184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -0.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7321   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9725    2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3012    2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4308    2.8860    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7596    2.3983    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9850    0.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2414    1.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4906    1.5705    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7470    0.7814    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -0.4594    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -2.0794    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  5  1  0  0  0  0
  1  6  1  0  0  0  0
  1  7  1  0  0  0  0
  2 10  2  0  0  0  0
  2 11  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  6  1  0  0  0  0
  4 14  1  0  0  0  0
  4 15  1  0  0  0  0
  5 16  1  0  0  0  0
  5 17  1  0  0  0  0
  6 18  1  0  0  0  0
  6 19  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  8 10  1  0  0  0  0
  8 20  1  0  0  0  0
  9 11  2  0  0  0  0
  9 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
75567

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
113

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzAAAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHAAAAAAACAjBEgQ8wJMIEACgADRnRACCgCAxAiAI2CA4ZJgIIGLA0dGEJAhggADIyAYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-pyrrolidin-1-ylpyridine

> <PUBCHEM_IUPAC_CAS_NAME>
4-(1-pyrrolidinyl)pyridine

> <PUBCHEM_IUPAC_NAME_MARKUP>
4-pyrrolidin-1-ylpyridine

> <PUBCHEM_IUPAC_NAME>
4-pyrrolidin-1-ylpyridine

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-pyrrolidin-1-ylpyridine

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-pyrrolidinopyridine

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H12N2/c1-2-8-11(7-1)9-3-5-10-6-4-9/h3-6H,1-2,7-8H2

> <PUBCHEM_IUPAC_INCHIKEY>
RGUKYNXWOWSRET-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
148.100048391

> <PUBCHEM_MOLECULAR_FORMULA>
C9H12N2

> <PUBCHEM_MOLECULAR_WEIGHT>
148.20

> <PUBCHEM_SMILES>
C1CCN(C1)C2=CC=NC=C2

> <PUBCHEM_CONNECTIVITY_SMILES>
C1CCN(C1)C2=CC=NC=C2

> <PUBCHEM_CACTVS_TPSA>
16.1

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
148.100048391

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
11

> <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>
2  10  8
2  11  8
7  8  8
7  9  8
8  10  8
9  11  8

$$$$
