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
    1.3315   -0.4395   -2.4442 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7985   -0.0535   -1.3248 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1831    0.2752   -1.0376 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2231    0.6280    0.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9155    0.5554    0.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5539    0.8104    2.0480 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0048    0.1138   -0.1764 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3898   -0.0715    0.0404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2299    1.0185    0.1066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6464    2.3714   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5917    0.8515    0.3494 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1458   -0.3971    0.5298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3098   -1.4935    0.4618 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9472   -1.3190    0.2195 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0026   -2.4717    0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0049    0.2387   -1.7265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1002    0.9429    0.8228 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2135    2.5971    0.5124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4468    3.1384   -0.0790 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2639    2.4016   -1.1811 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2287    1.7132    0.3975 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1800   -0.5954    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6924   -2.4768    0.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0319   -2.8256   -0.9532 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0406   -2.1846    0.2888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2680   -3.3278    0.7348 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