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
   -4.5724    0.1736    0.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1068    0.1136    0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3287   -0.6141    1.1215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9637   -0.6745    0.9470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3170   -0.0190   -0.0821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0960    0.7151   -0.9503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4635    0.7713   -0.7696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1088   -0.1060   -0.2315 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8104   -0.9522   -1.1331 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2497   -1.4963   -2.1405 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1944   -1.0381   -0.6703 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4004    0.2471    0.0372 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5583    0.8545    0.1815 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0826    0.6488    0.5061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8565    1.5162    1.4096 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8538    0.3343    1.5315 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9878   -0.8300    0.1930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0497    0.9831   -0.1146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8289   -1.1422    1.9463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3534   -1.2550    1.6344 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6117    1.2442   -1.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0870    1.3502   -1.4529 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2939   -1.8530    0.0974 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9302   -1.1933   -1.4838 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4588    0.4259   -0.2281 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6763    1.7958    0.7058 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