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
   -3.9930   -0.8080    0.4124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5285   -0.6628    0.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7007   -1.7551    0.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3437   -1.5991    0.2293 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2392   -0.3295    0.1225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5965    0.7628    0.1139 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9820    0.6104    0.2085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0215    2.1090    0.0007 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6393   -0.1290    0.0243 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4699   -0.6683   -0.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1064   -1.3934   -1.9549 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8292   -0.2225   -0.7254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8604    0.5256    0.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5002    0.6149    0.8708 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1413    1.2514    1.9017 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3730   -1.5812   -0.2891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4950    0.1476    0.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2061   -1.1664    1.4602 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1098   -2.7392    0.4025 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3375   -2.4517    0.2343 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6098    1.4968    0.1985 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6458    2.6886   -0.6983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0130    2.6754    0.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0025    2.0704   -0.4693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7226   -0.4604   -1.3231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7268    1.0136    0.8306 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