Monomers

1H-Pyrrole-2,5-dione, 1-(2,6-dimethylphenyl)-

Identifiers

IUPAC name
1-(2,6-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-4-3-5-9(2)12(8)13-10(14)6-7-11(13)15/h3-7H,1-2H3
InchI Key
VMDQUQBEIFMAIC-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1c(C)cccc1C
Canonical SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=C(C(=CC=C1)C)N2C(=O)C=CC2=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
1.7328
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
    1.7081   -1.0246    1.7970 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0124   -0.3387    0.7852 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3292    0.0674    0.3094 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1950    0.7856   -0.7962 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7690    0.8840   -1.1006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087    1.4965   -2.0820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0210    0.1874   -0.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3852   -0.0065    0.0145 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9045   -1.2779   -0.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0206   -2.3983   -0.4461 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2440   -1.5776   -0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1241   -0.5523    0.2792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6135    0.7455    0.4349 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2639    1.0125    0.3038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7654    2.3996    0.4749 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2838   -0.1785    0.7873 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0512    1.1939   -1.3235 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9510   -2.0622   -0.9506 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4750   -3.0754   -1.1886 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2435   -2.9574    0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6444   -2.5721   -0.1307 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1963   -0.6945    0.3945 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3022    1.5507    0.6650 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0979    2.4778    1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5761    3.0495    0.8932 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4968    2.8656   -0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
  9 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
 10 18  1  0
 10 19  1  0
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers