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
   -4.0314   -0.7710    0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5379   -0.6145    0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7386   -1.7375    0.3161 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3659   -1.5635    0.2740 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2310   -0.3370    0.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5886    0.7576   -0.1416 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9505    0.6114   -0.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0350    2.0898   -0.3864 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6366   -0.1627    0.0067 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4976   -0.0386   -1.1175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1786   -0.0590   -2.3296 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8761    0.1249   -0.6704 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8831    0.1051    0.6464 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002   -0.0735    1.1311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1138   -0.1400    2.3233 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4716    0.2349   -0.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3887   -1.1561    1.1210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3329   -1.4029   -0.7156 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2087   -2.7026    0.4935 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2609   -2.4176    0.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.4833   -0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8040    2.0338   -1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7534    2.8056   -0.7034 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4500    2.4857    0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7674    0.2450   -1.3049 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7298    0.1994    1.3073 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