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
    4.1463   -0.0748    0.7047 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8275    0.1741    0.0720 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5750    0.9691   -0.9464 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1272    0.9116   -1.2447 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5705    1.5639   -2.1680 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5064    0.0196   -0.3321 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5641   -0.4528    0.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4413   -1.2684    1.4529 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8465   -0.3844   -0.2051 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2189   -1.7031   -0.4225 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4952   -2.1790   -0.3258 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5075   -1.2988    0.0111 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1791    0.0287    0.2366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8602    0.4825    0.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6503    1.9215    0.4147 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9619    0.4865    0.2546 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3838   -1.1705    0.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0654    0.0599    1.8197 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3019    1.5643   -1.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4324   -2.3908   -0.6848 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7489   -3.2348   -0.5035 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5280   -1.6451    0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9746    0.7011    0.4960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4885    2.4775   -0.0980 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6902    2.3247    0.1021 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8511    2.1174    1.5128 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