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
    4.0670   -0.3389    0.1756 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5787   -0.3065    0.2574 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8795   -0.9310    1.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4926   -0.8648    1.2783 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2179   -0.1869    0.3231 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4826    0.4386   -0.6771 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8854    0.3803   -0.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2405    1.1721   -1.7151 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6349   -0.1039    0.3225 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5240   -1.2276    0.2465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1966   -2.4538    0.1691 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8668   -0.6803    0.2760 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8299    0.6330    0.3605 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4440    1.0499    0.3932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9869    2.2411    0.4717 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4643    0.6203    0.5853 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5010   -1.1898    0.7350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3355   -0.4405   -0.8992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4299   -1.4801    2.0317 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0663   -1.3659    2.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4469    0.8756   -1.5050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2817    0.8861   -1.8440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0907    2.2664   -1.5192 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2505    1.0120   -2.7204 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7513   -1.3143    0.2314 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6821    1.3085    0.4002 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