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
    4.1239   -0.4164    0.4876 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7687    0.0971    0.1453 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4709    1.3512   -0.1462 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0233    1.4674   -0.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4034    2.5009   -0.7379 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4478    0.1757   -0.2886 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5218   -0.6848    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3706   -1.9168    0.2756 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9328   -0.1233   -0.4774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3894   -0.5828   -1.7059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7112   -0.8844   -1.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5952   -0.7158   -0.8825 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1521   -0.2575    0.3498 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8289    0.0381    0.5552 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3270    0.5296    1.8699 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9099    0.1137   -0.0945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2281   -1.5083    0.2509 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3072   -0.3191    1.5716 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2054    2.1621   -0.1699 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6678   -0.7007   -2.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0743   -1.2383   -2.8903 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6418   -0.9419   -1.0230 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8744   -0.1356    1.1498 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1600    0.8974    2.4984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6488    1.3882    1.7073 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7772   -0.2957    2.3609 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