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
   -4.6102   -0.2743    0.1152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1153   -0.1853    0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4760    0.9996    0.4795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1015    1.0979    0.5274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3073   -0.0051    0.2546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9415   -1.1762   -0.0589 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3175   -1.2778   -0.1077 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1244    0.1020    0.3043 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.8379    1.0514    1.0913 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3633    1.6429    2.0978 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.2092    1.1862    0.4908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4118   -0.1994   -0.0209 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5697   -0.7893   -0.0942 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0816   -0.6725   -0.3841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8547   -1.6175   -1.1816 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9398   -0.1277   -0.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9825    0.5843    0.7074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9975   -1.1862    0.5710 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0779    1.8715    0.6948 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5757    2.0129    0.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3544   -2.0702   -0.2815 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8293   -2.2081   -0.3556 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9549    1.4883    1.2338 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0967    1.8628   -0.3634 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6346   -1.7957   -0.4772 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4876   -0.3143    0.2139 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