Monomers

2,5-Pyrrolidinedione, 3-methylene-1-(4-methylphenyl)-

Identifiers

IUPAC name
3-methylidene-1-(4-methylphenyl)pyrrolidine-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-5-10(6-4-8)13-11(14)7-9(2)12(13)15/h3-6H,2,7H2,1H3
InchI Key
CFKWVBVWGCLNHU-UHFFFAOYSA-N
SMILES
Cc1ccc(cc1)N1C(=O)CC(=C)C1=O
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)CC(=C)C2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C12H11NO2
Heavy Atom Count
15
Molecular Weight
201.225
Exact Molecular Weight
201.079
Valence Electrons
76
Radical Electrons
0
tPSA
37.38
MolLogP
1.8145
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

 26 27  0  0  0  0  0  0  0  0999 V2000
    4.5954    0.2959   -0.4112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1091    0.1660   -0.2698 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3107    0.1861   -1.4183 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9407    0.0663   -1.2952 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3199   -0.0750   -0.0584 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1497   -0.0891    1.0426 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5142    0.0287    0.9401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1096   -0.1990    0.0296 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8754   -1.3945   -0.0418 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4566   -2.5006   -0.4859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2520   -1.1537    0.4854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4074    0.2942    0.2394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5559    0.9172    0.0861 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0560    0.8528    0.2045 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7641    2.0814    0.3125 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8432    0.7336   -1.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0077    1.0116    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0641   -0.7030   -0.3595 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8163    0.2964   -2.3493 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3167    0.0813   -2.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6688   -0.2000    2.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1139    0.0109    1.8418 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0115   -1.7782   -0.0039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2201   -1.2910    1.5987 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6017    2.0010   -0.0954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4602    0.3605    0.1403 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  5  8  1  0
  8  9  1  0
  9 10  2  0
  9 11  1  0
 11 12  1  0
 12 13  2  3
 12 14  1  0
 14 15  2  0
  7  2  1  0
 14  8  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  6 21  1  0
  7 22  1  0
 11 23  1  0
 11 24  1  0
 13 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers