Monomers

1-(2,4-dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(2,4-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-3-4-10(9(2)7-8)13-11(14)5-6-12(13)15/h3-7H,1-2H3
InchI Key
LWFUFCYGHRBLDH-UHFFFAOYSA-N
SMILES
Cc1ccc(c(c1)C)N1C(=O)C=CC1=O
Canonical SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=C(C=C1)N2C(=O)C=CC2=O)C
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
    3.9354   -0.1814    1.2788 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5229   -0.2289    0.8245 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0419   -1.3570    0.1989 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7361   -1.4362   -0.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1300   -0.3611   -0.0442 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473    0.7679    0.5811 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6659    0.8536    1.0216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5957    1.9071    0.7743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4801   -0.3947   -0.4670 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5795   -1.1532    0.0069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5214   -1.9856    0.9632 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7686   -0.8342   -0.7630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4410    0.0845   -1.6838 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0232    0.3942   -1.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3559    1.2181   -2.2398 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3027    0.8399    1.1471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9962   -0.4960    2.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5867   -0.8530    0.6822 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6569   -2.2220    0.0184 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3473   -2.3290   -0.7334 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0212    1.7579    1.5121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4696    2.2913    1.8309 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292    1.6454    0.5535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2990    2.7687    0.1195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7726   -1.2272   -0.6686 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0945    0.5307   -2.4114 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  2  0
  3  4  1  0
  4  5  2  0
  5  6  1  0
  6  7  2  0
  6  8  1  0
  5  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  7  2  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  3 19  1  0
  4 20  1  0
  7 21  1  0
  8 22  1  0
  8 23  1  0
  8 24  1  0
 12 25  1  0
 13 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers