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
    1.5163   -1.9843   -1.3506 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.8989   -0.9738   -0.6975 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2623   -0.5202   -0.4351 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2715    0.5764    0.2841 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8918    0.9208    0.5458 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4996    1.9251    1.2149 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0409   -0.0406   -0.0630 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3793   -0.0158   -0.0083 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1117    0.9937   -0.5931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4011    2.0787   -1.2951 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4944    1.0344   -0.5503 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1605    0.0229    0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4367   -0.9919    0.6930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0557   -1.0265    0.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2700   -2.1273    1.2857 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1713   -1.0025   -0.7747 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1148    1.1517    0.6396 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0413    2.3677   -2.1776 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5721    1.7478   -1.6934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2868    2.9466   -0.6077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0962    1.8125   -0.9994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2548    0.0020    0.1707 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9803   -1.7827    1.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3328   -3.0535    0.7066 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7144   -2.2829    2.3060 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7765   -1.7783    1.4430 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