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
   -4.5273    0.6407    0.5955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0508    0.4072    0.4516 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3713   -0.3943    1.3544 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0070   -0.5904    1.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2826   -0.0228    0.1731 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9579    0.7781   -0.7282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3334    0.9821   -0.5758 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1006   -0.2478    0.0433 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7497   -1.5184    0.2017 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3682   -2.5124    0.8745 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9979   -1.4002   -0.6206 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3683    0.0139   -0.2902 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5832    0.4733   -0.0748 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0922    0.7304   -0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9692    1.9624   -0.4787 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9965    0.7231   -0.4214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6332    1.6435    1.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0127   -0.1549    1.1667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9129   -0.8528    2.1605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4741   -1.2113    1.9013 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4640    1.2646   -1.5603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8919    1.6054   -1.2744 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7683   -2.1256   -0.3452 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7121   -1.4799   -1.7058 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4132   -0.2146   -0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7925    1.5009    0.1512 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