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
    3.9761   -0.8980    0.3080 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6828   -0.2356    0.5739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4848    0.6363    1.5722 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0876    1.0683    1.5078 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5867    1.8937    2.3168 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4384    0.4117    0.4125 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4430   -0.4037   -0.1684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3179   -1.1574   -1.1586 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9185    0.5811    0.0400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4867    1.8032   -0.2829 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7971    1.9463   -0.6407 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5926    0.8108   -0.6814 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0487   -0.4131   -0.3647 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7253   -0.5347   -0.0064 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1503   -1.8573    0.3325 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2094   -1.5734    1.1809 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7982   -0.1440    0.3140 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0009   -1.4398   -0.6411 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2487    0.9342    2.2723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8158    2.6744   -0.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2185    2.9152   -0.8888 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6195    0.9564   -0.9673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6757   -1.2892   -0.3999 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2747   -1.7999    0.9879 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0084   -2.4977   -0.5630 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9427   -2.3876    0.9388 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