132327062
  -OEChem-06192423302D

 31 32  0     1  0  0  0  0  0999 V2000
    2.0000    1.9920    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.4186   -2.3739    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.9920    0.0000 N   0  0  3  0  0  0  0  0  0  0  0  0
    4.8198   -1.3559    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.4920    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2320   -0.5469    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2320   -0.5469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5411    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9230    0.4042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4131   -2.2694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    2.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.4920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0009   -3.0784    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5942   -3.9920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8444   -0.4499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6256   -0.6758    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2969   -1.1635    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1075    0.1520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8511    0.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6130    0.9411    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3566    0.1520    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4364   -1.2911    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    3.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    3.8020    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6175   -3.0136    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    4.6120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9775   -4.0568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9586   -4.4936    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 12  1  0  0  0  0
  2 11  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 10  1  0  0  0  0
  4  6  1  0  0  0  0
  4 11  1  0  0  0  0
  4 25  1  0  0  0  0
  5 10  1  0  0  0  0
  5 14  2  0  0  0  0
  6  7  1  0  0  0  0
  6  8  1  0  0  0  0
  6 18  1  0  0  0  0
  7  9  1  0  0  0  0
  7 19  1  0  0  0  0
  7 20  1  0  0  0  0
  8 21  1  0  0  0  0
  8 22  1  0  0  0  0
  9 23  1  0  0  0  0
  9 24  1  0  0  0  0
 10 12  2  0  0  0  0
 11 15  1  0  0  0  0
 12 13  1  0  0  0  0
 13 16  2  0  0  0  0
 13 26  1  0  0  0  0
 14 16  1  0  0  0  0
 14 27  1  0  0  0  0
 15 17  2  0  0  0  0
 15 28  1  0  0  0  0
 16 29  1  0  0  0  0
 17 30  1  0  0  0  0
 17 31  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
132327062

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
298

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
3

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzIQAAAAAAAAAAAAAAAAAAAWAAAAAsAAAAAAAAAAABgAAAHwAQAAAACCjBkgw9sJPIEACoADN3dACCgCkxAiAJ2KA4ZNiIYOLA2ZGUIAholgLIyKYQAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-[1-(3-fluoro-2-pyridyl)pyrrolidin-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-[1-(3-fluoro-2-pyridinyl)-3-pyrrolidinyl]-2-propenamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-[1-(3-fluoropyridin-2-yl)pyrrolidin-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_NAME>
N-[1-(3-fluoropyridin-2-yl)pyrrolidin-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
N-[1-(3-fluoranylpyridin-2-yl)pyrrolidin-3-yl]prop-2-enamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-[1-(3-fluoro-2-pyridyl)pyrrolidin-3-yl]acrylamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C12H14FN3O/c1-2-11(17)15-9-5-7-16(8-9)12-10(13)4-3-6-14-12/h2-4,6,9H,1,5,7-8H2,(H,15,17)

> <PUBCHEM_IUPAC_INCHIKEY>
LJNBZPWCAMJALL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.5

> <PUBCHEM_EXACT_MASS>
235.11209024

> <PUBCHEM_MOLECULAR_FORMULA>
C12H14FN3O

> <PUBCHEM_MOLECULAR_WEIGHT>
235.26

> <PUBCHEM_OPENEYE_CAN_SMILES>
C=CC(=O)NC1CCN(C1)C2=C(C=CC=N2)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
C=CC(=O)NC1CCN(C1)C2=C(C=CC=N2)F

> <PUBCHEM_CACTVS_TPSA>
45.2

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
235.11209024

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
17

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <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>
10  12  8
12  13  8
13  16  8
14  16  8
6  4  3
5  10  8
5  14  8

$$$$
