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
   -1.2896    1.3649   -1.9469 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8164    0.7836   -0.9662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2077    0.6894   -0.5874 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3068   -0.0254    0.5237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9745   -0.4644    0.9721 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7453   -1.1535    1.9923 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0603    0.0525    0.0266 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3609   -0.0879   -0.0015 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1123    1.0539    0.1953 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4800    2.3715    0.4517 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5070    0.9846    0.1571 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1625   -0.2039   -0.0747 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3813   -1.3170   -0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0064   -1.2889   -0.2344 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1976   -2.5445   -0.4441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0344    1.1485   -1.1511 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2275   -0.2669    1.0467 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5173    2.2921    0.9112 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1347    2.9446    1.1567 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4746    2.9955   -0.4864 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0740    1.8834    0.3113 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2551   -0.2666   -0.1064 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8718   -2.2693   -0.4516 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9330   -3.3586   -0.6973 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2871   -2.8826    0.4975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4843   -2.4351   -1.2946 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