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
    3.9860    0.5530   -0.4007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7024   -0.0858    0.0313 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5955   -1.1008    0.8612 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1917   -1.4347    1.0328 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7109   -2.3657    1.7657 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4386   -0.5339    0.2331 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3758    0.3204   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1101    1.2788   -1.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9816   -0.4791    0.0818 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7452   -1.5053   -0.4155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1307   -1.4097   -0.5452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7399   -0.2364   -0.1558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0037    0.8077    0.3452 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6254    0.6746    0.4592 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8578    1.8049    0.9985 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1715    0.3133   -1.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9763    1.6343   -0.1969 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8143    0.1144    0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4240   -1.6290    1.3581 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2523   -2.4154   -0.7154 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7170   -2.2302   -0.9397 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8262   -0.1854   -0.2670 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5030    1.7124    0.6413 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1278    1.5176    1.3664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4107    2.2791    1.8609 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8313    2.6010    0.2172 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