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
    3.9943   -0.8904    0.4139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7093   -0.4795   -0.2183 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5114    0.1313   -1.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0775    0.3316   -1.5827 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5191    0.8755   -2.5652 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3960   -0.1993   -0.4679 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4076   -0.7229    0.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1874   -1.2835    1.5305 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9922   -0.2665   -0.1569 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7688   -1.3910   -0.3215 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1063   -1.4265   -0.0092 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7068   -0.2931    0.4914 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9337    0.8446    0.6609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5951    0.8688    0.3446 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308    2.1353    0.5557 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1236   -0.4321    1.4026 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8204   -0.5297   -0.2301 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0609   -1.9976    0.4549 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2981    0.4372   -2.0699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2750   -2.2663   -0.7150 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7205   -2.3012   -0.1350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7643   -0.3011    0.7451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4384    1.7172    1.0573 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3396    2.1739    1.5478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0778    2.2854   -0.2563 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5564    2.9797    0.4828 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