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
    1.8182   -0.4701    1.9626 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9733   -0.5021    0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1947   -0.8194    0.0184 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9595   -0.7481   -1.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5685   -0.3796   -1.5122 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0250   -0.2293   -2.6188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.9444   -0.2235   -0.2620 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3935    0.1259    0.0639 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8022    1.4418    0.0951 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1965    2.4764   -0.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1233    1.7129    0.4173 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394    0.7248    0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5921   -0.5785    0.6645 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2792   -0.8919    0.3471 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8023   -2.2881    0.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1242   -1.0688    0.5205 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7412   -0.9505   -2.0176 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1347    2.3789    0.3959 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4238    2.3919   -1.3128 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1640    3.5087   -0.0213 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4345    2.7582    0.4406 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0458    1.0141    0.9474 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3036   -1.3477    0.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5279   -2.7062    1.2765 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0445   -2.4340   -0.4136 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6406   -2.8957   -0.1043 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