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
    4.0003   -0.9274   -0.3049 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5244   -0.7135   -0.1424 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7319   -1.7096    0.3861 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3837   -1.4815    0.5214 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2096   -0.2958    0.1499 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5831    0.7159   -0.3848 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9319    0.4677   -0.5123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0542    1.9826   -0.7812 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6093   -0.0716    0.2955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6295   -0.3511   -0.6603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4496   -0.8420   -1.7869 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9357    0.0347   -0.1008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7412    0.5217    1.1211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2942    0.4760    1.4168 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7436    0.8597    2.4910 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4828   -0.5770    0.6133 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2351   -1.9968   -0.4413 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3071   -0.2926   -1.1600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1534   -2.6702    0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2562   -2.2722    0.9428 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5496    1.2477   -0.9257 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5606    2.4956   -1.5771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0497    2.7175    0.0716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0666    1.8326   -1.1675 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9118   -0.0414   -0.5567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4929    0.8908    1.7956 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