Monomers

1-(2,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2,4-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InchI Key
LWFUFCYGHRBLDH-UHFFFAOYSA-N
SMILES
Cc1ccc(c(c1)C)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
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
1.7328
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
    4.0227    0.8768   -0.1845 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5603    0.6108   -0.1907 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7863    1.3188   -1.0869 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4211    1.1075   -1.1252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2142    0.2085   -0.2973 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5663   -0.4997    0.5995 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384   -0.2921    0.6433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0871   -1.4763    1.5053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6180   -0.0342   -0.3069 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440   -0.5848   -1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0449   -0.9715   -2.4545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8328   -0.6364   -0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8840   -0.1464    0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5324    0.2436    0.7684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2633    0.7403    1.8884 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6075    0.1613   -0.7924 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2326    1.8947   -0.6224 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4498    0.9083    0.8514 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2435    2.0511   -1.7720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2083    1.6461   -1.8164 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5676   -0.8276    1.3297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1525   -1.1022    2.5589 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4662   -2.4384    1.5606 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0938   -1.7143    1.1526 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7087   -0.9947   -1.3836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7783   -0.0493    0.9928 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
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers