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
   -4.1606    0.1448    0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7959    0.2436    0.0738 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4895    0.9522   -1.0010 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0511    0.8167   -1.3014 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4053    1.3440   -2.2437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4757   -0.0396   -0.3226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5662   -0.3951    0.5331 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4841   -1.1374    1.5237 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8805   -0.4610   -0.2022 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2707   -1.7631   -0.4812 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5508   -2.2195   -0.3800 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5258   -1.3349    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1967   -0.0197    0.3196 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8792    0.4145    0.2055 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5388    1.8193    0.5223 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2228   -0.7437    1.3608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9272   -0.0723   -0.1102 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3966    1.0389    1.2730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1740    1.5516   -1.5955 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4948   -2.4471   -0.7942 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8614   -3.2374   -0.5976 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5488   -1.6745    0.1149 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9691    0.6631    0.6373 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4286    2.3594   -0.4271 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6182    1.9162    1.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3857    2.2811    1.0709 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