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
    4.1126   -0.3830    0.8391 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7728   -0.3871    0.1950 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4740   -1.0090   -0.9278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0472   -0.7779   -1.2423 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4565   -1.2354   -2.2449 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4861    0.0388   -0.2216 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5662    0.2818    0.6756 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4695    0.9746    1.7219 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8474    0.5165   -0.1028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1077    1.8847    0.0282 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3741    2.3909    0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4335    1.5148    0.1341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2047    0.1615    0.0063 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9148   -0.3492   -0.1129 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7329   -1.8161   -0.2476 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8923   -0.7809    0.1945 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0916   -0.9018    1.8408 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4289    0.6706    1.0960 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596   -1.5943   -1.5246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2276    2.5160    0.0297 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5106    3.4788    0.2454 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4217    1.9422    0.2285 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0509   -0.5064   -0.0004 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7356   -2.1025    0.0883 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4565   -2.3547    0.4291 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9392   -2.1728   -1.2730 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