Monomers

2,5-Pyrrolidinedione, 3-methylene-1-phenyl-

Identifiers

IUPAC name
3-methylidene-1-phenylpyrrolidine-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-7-10(13)12(11(8)14)9-5-3-2-4-6-9/h2-6H,1,7H2
InchI Key
JLLCBHHFPWVBQP-UHFFFAOYSA-N
SMILES
C=C1CC(=O)N(C1=O)c1ccccc1
Canonical SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Isomeric SMILES
C=C1CC(=O)N(C1=O)C2=CC=CC=C2
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.5061
H Bond Acceptors
2
H Bond Donors
0
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 23 24  0  0  0  0  0  0  0  0999 V2000
    3.8633   -0.2712   -0.7756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7373    0.0738   -0.1968 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5112    0.5198    1.2191 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2383   -0.2035    1.4992 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8850   -0.8223    2.5374 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4525   -0.0514    0.2975 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3847    0.1213   -0.7664 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1072    0.2868   -1.9839 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9819   -0.0745    0.2348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6869   -1.1924    0.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0569   -1.2121    0.5060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7391   -0.0672    0.1174 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0484    1.0789   -0.2145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6573    1.0687   -0.1531 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9419   -0.5790   -1.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7699   -0.2453   -0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2537    1.6012    1.1587 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3291    0.2746    1.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1540   -2.0768    0.8579 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6300   -2.0982    0.7649 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8191   -0.0521    0.0679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5984    1.9654   -0.5190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1019    1.9553   -0.4105 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  3
  2  3  1  0
  3  4  1  0
  4  5  2  0
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
  7  2  1  0
 14  9  1  0
  1 15  1  0
  1 16  1  0
  3 17  1  0
  3 18  1  0
 10 19  1  0
 11 20  1  0
 12 21  1  0
 13 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers