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
    4.5489    0.4759    0.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0839    0.2829   -0.0448 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2155    1.3335    0.2485 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8522    1.1981    0.1261 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3195   -0.0191   -0.3021 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1502   -1.0645   -0.5963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5098   -0.8882   -0.4606 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0977   -0.1047   -0.4075 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8789   -0.0580   -1.5979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5263    0.4496   -2.7187 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1759   -0.7147   -1.2667 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3669   -0.3044    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4733   -0.0341    0.8119 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0011   -0.2566    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7124   -0.3402    1.9249 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7478    1.5053    0.4454 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0433    0.2352   -0.8574 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9750   -0.1977    0.8853 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    2.2589    0.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1858    2.0137    0.3546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7675   -2.0169   -0.9286 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1759   -1.7259   -0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0009   -0.3906   -1.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0411   -1.8129   -1.2536 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4614   -0.0870    0.3615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4610    0.2623    1.8626 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