Monomers

1-(3,5-Dimethylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(3,5-dimethylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-9(2)7-10(6-8)13-11(14)3-4-12(13)15/h3-7H,1-2H3
InchI Key
PECLZIRCLUPWGS-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1cc(C)cc(c1)C
Canonical SMILES
CC1=CC(=CC(=C1)N2C(=O)C=CC2=O)C
Isomeric SMILES
CC1=CC(=CC(=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
    1.9866    2.6618   -0.1717 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4910    1.5267   -0.1401 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    1.2665   -0.1730 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1258   -0.0421   -0.1253 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8216   -0.7111   -0.0585 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6819   -1.9584   -0.0038 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.7911    0.2736   -0.0676 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.3873    0.0543   -0.0167 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1342   -1.0636    0.5971 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4899   -1.2952    0.6551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0267   -2.5084    1.3247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3599   -0.3647    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8829    0.7660   -0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5172    0.9533   -0.5836 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8055    1.7705   -1.1799 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7288    1.9907   -0.2277 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0932   -0.5154   -0.1362 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5477   -1.7703    1.0411 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2735   -2.9180    2.0261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9069   -2.1896    1.9530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4136   -3.2580    0.6165 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4098   -0.5462    0.1192 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1249    1.8427   -1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7833    1.7376   -2.2751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6165    2.7908   -0.7599 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8380    1.5064   -0.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  1  0
 10 12  2  0
 12 13  1  0
 13 14  2  0
 13 15  1  0
  7  2  1  0
 14  8  1  0
  3 16  1  0
  4 17  1  0
  9 18  1  0
 11 19  1  0
 11 20  1  0
 11 21  1  0
 12 22  1  0
 14 23  1  0
 15 24  1  0
 15 25  1  0
 15 26  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers