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
    4.0445    0.6309    0.3974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5796    0.4554    0.2744 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7959    1.5830    0.3075 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4290    1.4898    0.1983 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2250    0.2620    0.0501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5877   -0.8532    0.0201 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9664   -0.7704    0.1294 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1048   -2.1681   -0.1378 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6392    0.1991   -0.0597 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4223    0.8729   -1.0386 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9904    1.6272   -1.9578 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8409    0.5646   -0.8311 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9373   -0.2474    0.2080 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5824   -0.5106    0.7323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3056   -1.2413    1.7165 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5626   -0.2146   -0.0598 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3149    0.7648    1.4769 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3578    1.5588   -0.1062 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2408    2.5553    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331    2.3581    0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5692   -1.6705    0.1010 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0838   -2.0582   -0.6110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1238   -2.6752    0.8485 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5935   -2.7898   -0.7703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6787    0.9226   -1.4080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8747   -0.6454    0.5966 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