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
    4.0880   -0.1659   -0.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6001   -0.0693   -0.3255 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9384    0.5752   -1.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5575    0.7076   -1.3909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1850    0.1843   -0.3493 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4789   -0.4469    0.6686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8505   -0.5879    0.7089 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2989   -1.0115    1.7889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6028    0.2669   -0.2790 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5835   -0.6318   -0.7837 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3395   -1.7055   -1.4090 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9101   -0.0851   -0.4464 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7722    1.0554    0.2116 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3431    1.3258    0.3456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8022    2.3117    0.9077 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010    0.8341   -0.0901 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4589   -0.8794    0.3762 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4450   -0.4623   -1.3933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5066    0.9912   -2.1921 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0417    1.2115   -2.2058 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3695   -1.0863    1.5133 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0652   -2.0329    1.9749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2342   -0.3518    2.6676 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3824   -1.1055    1.5487 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8678   -0.5271   -0.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5795    1.6855    0.5891 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