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
    4.1304   -0.0989   -0.3907 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7464    0.1009    0.1389 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3671    0.8080    1.1823 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9211    0.7243    1.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2298    1.2954    2.2463 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4511   -0.1017    0.2819 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5732   -0.5019   -0.4753 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5897   -1.2455   -1.5023 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9001   -0.4560    0.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2716   -1.7767    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5780   -2.1089   -0.2110 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5108   -1.1241   -0.4216 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1119    0.2130   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7955    0.5755   -0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4038    2.0093   -0.1423 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1316   -0.0283   -1.4973 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8623    0.5725    0.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3837   -1.1676   -0.1445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0263    1.3653    1.8287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5621   -2.5611    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8719   -3.1462   -0.2278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5328   -1.4167   -0.6021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8963    0.9394   -0.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3211    2.1335   -0.3146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9007    2.4771   -1.0426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7561    2.5195    0.7864 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