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
    4.0653   -0.5773   -0.2276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5879   -0.4384   -0.1545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8140   -1.5689   -0.1638 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4389   -1.5561   -0.0995 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2278   -0.3271   -0.0189 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5597    0.8122   -0.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9488    0.7785   -0.0755 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1412    2.1229    0.0830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6348   -0.2536    0.0577 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5566   -0.4940   -0.9837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3104   -0.8132   -2.1785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9324   -0.3137   -0.4635 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8278    0.0164    0.8170 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4145    0.0720    1.2101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0213    0.3630    2.3713 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4397   -1.2264    0.6147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3679   -1.0252   -1.1813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5544    0.4160   -0.0260 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3145   -2.5295   -0.2263 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1633   -2.4672   -0.1056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5177    1.6943   -0.0643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9200    2.2556   -0.6933 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5628    2.3067    1.0853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6016    2.9490   -0.0825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8673   -0.4205   -0.9986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6301    0.2246    1.5133 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