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
   -4.6042   -0.1977   -0.1529 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1132   -0.2266   -0.1071 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4030   -1.2288    0.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0110   -1.2184    0.5407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2931   -0.2088   -0.0650 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0324    0.7915   -0.6924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4045    0.7821   -0.7124 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1279   -0.1450   -0.0773 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.0614   -1.0814   -0.6036 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7505   -2.1977   -1.0762 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4427   -0.5771   -0.5251 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3212    0.6688    0.2823 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3075    1.4210    0.7573 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8978    0.9223    0.4629 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4106    1.9412    1.0184 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9173    0.1247   -1.1650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0513   -1.1782    0.0841 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0069    0.5489    0.5586 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9803   -2.0109    0.9899 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4761   -2.0149    1.0392 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4698    1.5830   -1.1674 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9534    1.5656   -1.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8138   -0.2793   -1.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1553   -1.2566   -0.0628 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3546    1.1667    0.5804 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0733    2.3056    1.3323 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