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
    4.0676   -0.4296   -0.8230 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7675    0.0268   -0.2779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5425    1.1502    0.3772 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1217    1.2240    0.7448 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5609    2.1536    1.3733 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4676    0.0541    0.2677 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5139   -0.6987   -0.3780 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3255   -1.8205   -0.9367 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8850   -0.3437    0.3665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2731   -1.5234    0.9821 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5871   -1.9043    1.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5584   -1.0914    0.5404 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1820    0.1029   -0.0842 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8571    0.4662   -0.1665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4686    1.7199   -0.8228 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3979   -1.3818   -0.3424 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8512    0.3145   -0.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0686   -0.5510   -1.9164 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3150    1.8745    0.5876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4668   -2.1363    1.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8704   -2.8215    1.5552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6143   -1.3484    0.5880 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9852    0.7137   -0.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4262    1.7471   -1.1780 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7060    2.5746   -0.1257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1198    1.9285   -1.7228 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