5310971
  -OEChem-04192419562D

 27 29  0     1  0  0  0  0  0999 V2000
    2.9965   -0.5368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -2.0142    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6096    1.2119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7809   -1.9520    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9781   -0.3460    0.0000 C   0  0  2  0  0  0  0  0  0  0  0  0
    5.3508    0.2460    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6361    0.5937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3730    2.0606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7498   -0.2628    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2390    2.5606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0086    0.7031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4629   -1.2206    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8746   -1.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7562    0.7151    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4418    1.1825    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0503    0.3905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0683    2.6005    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8301    1.7612    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5548   -0.8514    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3437   -0.4406    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8208    2.7751    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9758    3.1219    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6026    0.5254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2035    1.2917    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8697   -1.6885    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9708   -0.8650    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8992   -2.5606    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  5  1  1  1  0  0  0
  1 13  1  0  0  0  0
  2 13  2  0  0  0  0
  3  7  1  0  0  0  0
  3 10  1  0  0  0  0
  3 11  1  0  0  0  0
  4 12  1  0  0  0  0
  4 13  1  0  0  0  0
  4 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 12  1  0  0  0  0
  6  8  1  0  0  0  0
  6  9  1  0  0  0  0
  6 14  1  0  0  0  0
  7 15  1  0  0  0  0
  7 16  1  0  0  0  0
  8 10  1  0  0  0  0
  8 17  1  0  0  0  0
  8 18  1  0  0  0  0
  9 11  1  0  0  0  0
  9 19  1  0  0  0  0
  9 20  1  0  0  0  0
 10 21  1  0  0  0  0
 10 22  1  0  0  0  0
 11 23  1  0  0  0  0
 11 24  1  0  0  0  0
 12 25  1  0  0  0  0
 12 26  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
5310971

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
248

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
0

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAsWLAAAAAAAAAAAAAAHgAQAAAADUTBgAQACAPABAAIAAAAGAAAAAAAAAAAAIAIAAECAAIAwAANAAAEBgCQAAAwAAAOgAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(5S)-spiro[oxazolidine-5,3'-quinuclidine]-2-one

> <PUBCHEM_IUPAC_CAS_NAME>
(3S)-2'-spiro[1-azabicyclo[2.2.2]octane-3,5'-oxazolidine]one

> <PUBCHEM_IUPAC_NAME_MARKUP>
(5<I>S</I>)-spiro[1,3-oxazolidine-5,3&apos;-1-azabicyclo[2.2.2]octane]-2-one

> <PUBCHEM_IUPAC_NAME>
(5S)-spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(5S)-spiro[1,3-oxazolidine-5,3'-1-azabicyclo[2.2.2]octane]-2-one

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
(5S)-spiro[oxazolidine-5,3'-quinuclidine]-2-one

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H14N2O2/c12-8-10-5-9(13-8)6-11-3-1-7(9)2-4-11/h7H,1-6H2,(H,10,12)/t9-/m0/s1

> <PUBCHEM_IUPAC_INCHIKEY>
TYAGAVRSOFABFO-VIFPVBQESA-N

> <PUBCHEM_XLOGP3_AA>
0.2

> <PUBCHEM_EXACT_MASS>
182.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C9H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
182.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CN2CCC1C3(C2)CNC(=O)O3

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CN2CCC1[C@@]3(C2)CNC(=O)O3

> <PUBCHEM_CACTVS_TPSA>
41.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
2

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
5  1  5

$$$$