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
   -3.7211   -0.7337   -0.9427 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6525   -0.1131   -0.4910 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6348    1.0172    0.5014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3347    0.7156    1.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0762    0.9217    2.4101 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4510    0.1552    0.2306 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2547   -0.3629   -0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9042   -0.9437   -1.8859 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9727    0.0584    0.2342 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7950    1.1209    0.4830 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1645    0.9348    0.4659 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7446   -0.2989    0.2044 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9190   -1.3675   -0.0453 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5664   -1.1808   -0.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6397   -1.5340   -1.6549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7256   -0.4786   -0.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4863    0.9944    1.1737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5318    1.9632   -0.0968 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3704    2.1092    0.6954 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7717    1.8089    0.6704 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8085   -0.4299    0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3722   -2.3386   -0.2494 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9275   -2.0179   -0.2271 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