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
    1.2381    1.1984    2.2464 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7609    0.5163    1.2996 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1429    0.1412    1.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2848   -0.5640    0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9769   -0.6864   -0.5861 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7070   -1.2954   -1.6554 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0207   -0.0050    0.2251 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822    0.0759   -0.0713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0980   -1.0976   -0.0739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4029   -2.3703    0.2316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4479   -1.1127   -0.3512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0964    0.0732   -0.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4061    1.2671   -0.6371 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0411    1.2468   -0.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2392    2.5047   -0.3421 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9231    0.4280    1.8276 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2430   -0.9805   -0.3579 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5797   -2.2204    0.7245 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3181   -3.0482   -0.6428 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0578   -2.8840    0.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9991   -2.0448   -0.3476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1697    0.1231   -0.8591 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8898    2.2229   -0.8585 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3245    2.8912    0.7110 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7989    2.3721   -0.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8032    3.2481   -0.9679 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