105549716
  -OEChem-06192423242D

 27 27  0     1  0  0  0  0  0999 V2000
    2.9901    2.8965    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913   -1.0694    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090   -0.3649    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3913    1.8784    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    1.1739    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0000    0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6180    0.5861    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090   -0.3649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2212    1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3968    1.9830    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968   -1.1739    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4901   -2.0875    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0778   -2.8965    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    1.1231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    0.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844    0.3340    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    1.1231    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7026   -0.4938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738   -0.9815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7228    2.3474    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8568    2.4845    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7196    1.6185    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7558    2.3800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6435    1.3120    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8735   -2.1523    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8257   -3.4629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6944   -2.8317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  2  0  0  0  0
  2 11  2  0  0  0  0
  3  7  1  0  0  0  0
  3  8  1  0  0  0  0
  3 11  1  0  0  0  0
  4 10  1  0  0  0  0
  4 23  1  0  0  0  0
  4 24  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5  9  1  0  0  0  0
  5 10  1  0  0  0  0
  6  8  1  0  0  0  0
  6 14  1  0  0  0  0
  6 15  1  0  0  0  0
  7 16  1  0  0  0  0
  7 17  1  0  0  0  0
  8 18  1  0  0  0  0
  8 19  1  0  0  0  0
  9 20  1  0  0  0  0
  9 21  1  0  0  0  0
  9 22  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  2  0  0  0  0
 12 25  1  0  0  0  0
 13 26  1  0  0  0  0
 13 27  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
105549716

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
262

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
2

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAAAAAAAAAAAAAAAAAAAWAAAAAAAAAAAAAAAAAAAAAAHgAQAAAADgDBgAQCAANAAACIACFSEACAAAAAAAAIAAEIAEAAABgAwAAEAAAABgCAAIAEAAAJAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
3-methyl-1-prop-2-enoyl-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
3-methyl-1-(1-oxoprop-2-enyl)-3-pyrrolidinecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
3-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
3-methyl-1-prop-2-enoylpyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
3-methyl-1-prop-2-enoyl-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
1-acryloyl-3-methyl-pyrrolidine-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C9H14N2O2/c1-3-7(12)11-5-4-9(2,6-11)8(10)13/h3H,1,4-6H2,2H3,(H2,10,13)

> <PUBCHEM_IUPAC_INCHIKEY>
UXDQKXNUCNSQQD-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
-0.3

> <PUBCHEM_EXACT_MASS>
182.105527694

> <PUBCHEM_MOLECULAR_FORMULA>
C9H14N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
182.22

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1(CCN(C1)C(=O)C=C)C(=O)N

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1(CCN(C1)C(=O)C=C)C(=O)N

> <PUBCHEM_CACTVS_TPSA>
63.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
182.105527694

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
13

> <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>
5  9  3

$$$$
