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
    4.0405   -0.0277    0.8051 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5679   -0.1412    0.5800 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8255   -1.2306    0.9771 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4697   -1.3247    0.7633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2173   -0.3135    0.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5093    0.7860   -0.2748 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8633    0.8629   -0.0526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1934    1.8996   -0.9623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6262   -0.4060   -0.0982 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2193   -0.8498   -1.3024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6340   -1.2386   -2.3719 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6620   -0.7852   -1.1072 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9283   -0.3371    0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6544   -0.0750    0.8184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5388    0.3618    2.0107 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396   -0.9244    1.3758 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2505    0.9309    1.2837 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5377   -0.0639   -0.2056 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3795   -2.0317    1.4794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0986   -2.1903    1.0835 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4471    1.7396   -0.3736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1485    2.1603   -0.4737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3979    1.6460   -2.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4620    2.7887   -0.9135 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4623   -1.0490   -1.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9117   -0.1869    0.5459 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