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
    1.5774   -0.3689    2.3173 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9051   -0.3782    1.0823 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2600   -0.5945    0.5775 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1968   -0.5326   -0.7391 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8193   -0.2757   -1.1849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4592   -0.1659   -2.4022 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0266   -0.1830   -0.0125 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699    0.0581    0.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2656   -0.9902    0.0076 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7948   -2.4028   -0.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6372   -0.7446    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0953    0.5567    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2028    1.6083    0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8444    1.3733    0.0509 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1132    2.5173    0.0601 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1214   -0.7695    1.2205 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0180   -0.6488   -1.4314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5901   -3.0574    0.4284 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7410   -2.7273   -1.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1553   -2.5470    0.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3278   -1.5760    0.0300 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1727    0.7418    0.0934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6217    2.6062    0.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3497    2.8600   -0.9826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3661    3.3766    0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0274    2.2640    0.6351 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