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
    4.0800   -0.5714    0.8240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7487   -0.0306    0.4844 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5495    1.0585   -0.2375 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1122    1.2936   -0.3719 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5730    2.2540   -1.0030 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4400    0.2453    0.3362 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4541   -0.5991    0.8827 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2600   -1.6331    1.5740 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9722    0.0709    0.4741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5898    0.0578    1.7029 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9536   -0.1111    1.8280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6809   -0.2676    0.6652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1095   -0.2619   -0.5908 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7262   -0.0880   -0.6688 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0962   -0.0797   -2.0175 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9939   -1.5985    1.2268 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7997   -0.4966   -0.0134 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5111    0.0467    1.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3393    1.6668   -0.6547 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9603    0.1857    2.5700 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4337   -0.1199    2.8107 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7589   -0.3993    0.7954 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7081   -0.3877   -1.4915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2438    0.8837   -2.5476 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6173   -0.8573   -2.6101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0111   -0.2613   -1.9498 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