Monomers

3-Methyl-1-(2-methylphenyl)pyrrole-2,5-dione

Identifiers

IUPAC name
3-methyl-1-(2-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C12H11NO2/c1-8-5-3-4-6-10(8)13-11(14)7-9(2)12(13)15/h3-7H,1-2H3
InchI Key
HGGWGNOOIKZWES-UHFFFAOYSA-N
SMILES
CC1=CC(=O)N(C1=O)c1ccccc1C
Canonical SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=O)C
Isomeric SMILES
CC1=CC=CC=C1N2C(=O)C=C(C2=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
1.8145
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
    4.1113    0.5466   -0.4607 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8156   -0.0021    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5835   -0.8530    1.0121 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1252   -1.0980    1.0776 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6153   -1.8654    1.9328 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4841   -0.3505    0.0596 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5377    0.3370   -0.6143 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3927    1.1218   -1.5997 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8855   -0.2723   -0.2662 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3499   -0.8330   -1.4609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6637   -0.7929   -1.8567 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6058   -0.1781   -1.0623 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1699    0.3812    0.1196 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8358    0.3403    0.5190 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4747    0.9706    1.7931 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2170    1.5750   -0.0732 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1273    0.6669   -1.5831 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9627   -0.0988   -0.1920 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3758   -1.2543    1.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5795   -1.3077   -2.0600 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9199   -1.2532   -2.8003 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6575   -0.1295   -1.3484 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9322    0.8730    0.7426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8506    0.3559    2.4572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4121    1.1637    2.3986 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0111    1.9566    1.6287 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
  4  6  1  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  2  0
 10 11  1  0
 11 12  2  0
 12 13  1  0
 13 14  2  0
 14 15  1  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
 10 20  1  0
 11 21  1  0
 12 22  1  0
 13 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