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
    3.9497    0.0068    0.8664 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7423   -0.0508    0.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6619    0.0054   -1.2959 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2395   -0.0926   -1.6918 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7724   -0.0743   -2.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4444   -0.2123   -0.5386 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3845   -0.1857    0.5591 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1254   -0.2624    1.7971 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9364   -0.3585   -0.2932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5691   -1.5709   -0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9109   -1.7702   -0.2928 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6855   -0.7325    0.2264 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0779    0.4633    0.4718 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7280    0.6440    0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0803    1.9793    0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7558    0.6068    0.4606 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7012    0.3842    1.8667 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3396   -1.0274    1.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4980    0.1113   -1.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9671   -2.3723   -0.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4114   -2.7326   -0.4835 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7459   -0.9166    0.4190 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6353    1.2852    0.8738 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5473    2.7456   -0.1960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0053    1.9123    0.3227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3144    2.2149    1.5389 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