526559
 OpenBabel05082101102D

 22 23  0  0  0  0  0  0  0  0999 V2000
    3.6473   -1.6561    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382    0.3471    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1844    0.0424    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7680    0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1844    1.6518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2382    1.3471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    0.0381    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2872    1.6561    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6994    0.8471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9782   -0.9130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -1.1209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334   -0.5245    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7218   -0.2669    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2289    0.4324    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2289    1.2618    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7218    1.9611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9334    2.2187    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0956    2.2458    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0794    0.8471    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8711   -0.5144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3936   -1.2498    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1289   -1.7273    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2  3  1  0  0  0  0
  2  6  1  0  0  0  0
  2  7  1  0  0  0  0
  3  4  1  0  0  0  0
  3 12  1  0  0  0  0
  3 13  1  0  0  0  0
  4  5  1  0  0  0  0
  4 14  1  0  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  8  2  0  0  0  0
  7  9  2  0  0  0  0
  7 10  1  0  0  0  0
  8  9  1  0  0  0  0
  8 18  1  0  0  0  0
  9 19  1  0  0  0  0
 10 11  1  0  0  0  0
 11 20  1  0  0  0  0
 11 21  1  0  0  0  0
 11 22  1  0  0  0  0
M  END
>  <PUBCHEM_COMPOUND_CID>
526559

>  <PUBCHEM_COMPOUND_CANONICALIZED>
1

>  <PUBCHEM_CACTVS_COMPLEXITY>
178

>  <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
1

>  <PUBCHEM_CACTVS_HBOND_DONOR>
0

>  <PUBCHEM_CACTVS_ROTATABLE_BOND>
1

>  <PUBCHEM_CACTVS_SUBSKEYS>
AAADccByIAAAAAAAAAAAAAAAAAAAAWLAAAAAAAAAAAAWAAABgAAAHgAAAAAACAzBlgQygJMMEACoAaRyRACCgCAnAiAI2CG4ZNgIIPLAlbGEAQhggADIyYcYiYCQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

>  <PUBCHEM_IUPAC_OPENEYE_NAME>
1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone

>  <PUBCHEM_IUPAC_CAS_NAME>
1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone

>  <PUBCHEM_IUPAC_NAME_MARKUP>
1-(6,7-dihydro-5<I>H</I>-pyrrolizin-3-yl)ethanone

>  <PUBCHEM_IUPAC_NAME>
1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone

>  <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone

>  <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-(6,7-dihydro-5H-pyrrolizin-3-yl)ethanone

>  <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H11NO/c1-7(11)9-5-4-8-3-2-6-10(8)9/h4-5H,2-3,6H2,1H3

>  <PUBCHEM_IUPAC_INCHIKEY>
NWSCEJHRUVCUSX-UHFFFAOYSA-N

>  <PUBCHEM_XLOGP3_AA>
1

>  <PUBCHEM_EXACT_MASS>
149.084064

>  <PUBCHEM_MOLECULAR_FORMULA>
C9H11NO

>  <PUBCHEM_MOLECULAR_WEIGHT>
149.19

>  <PUBCHEM_OPENEYE_CAN_SMILES>
CC(=O)C1=CC=C2N1CCC2

>  <PUBCHEM_OPENEYE_ISO_SMILES>
CC(=O)C1=CC=C2N1CCC2

>  <PUBCHEM_CACTVS_TPSA>
22

>  <PUBCHEM_MONOISOTOPIC_WEIGHT>
149.084064

>  <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  6  8
2  7  8
6  8  8
7  9  8
8  9  8

$$$$
