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
    2.0697    1.1885   -1.5098 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0537    0.3142   -0.5973 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2886   -0.2925   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9727   -1.1698    0.8434 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5116   -1.1944    1.0300 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9612   -1.9468    1.8720 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9661   -0.2569    0.1163 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3899    0.0644   -0.0553 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7623    1.3827    0.2434 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2496    2.3676    0.7152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0888    1.6956    0.0766 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0389    0.7975   -0.3581 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5973   -0.4837   -0.6336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2843   -0.8880   -0.4945 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8754   -2.2832   -0.8052 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3058   -0.0589   -0.4559 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6991   -1.7701    1.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2916    2.9532    1.5186 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5128    3.1182   -0.0443 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1013    1.9026    1.2280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3803    2.7145    0.3070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0941    1.0795   -0.4819 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3112   -1.2258   -0.9796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7212   -2.7043   -1.4320 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0051   -2.3599   -1.4629 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8618   -2.9445    0.0755 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