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
    4.0304    0.7553   -0.1623 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7071    0.4272    0.4231 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3612    0.3831    1.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9340    0.0025    1.7825 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2819   -0.1354    2.8479 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4269   -0.1815    0.4611 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5332    0.0843   -0.3986 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4819    0.0313   -1.6643 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8806   -0.5498    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2682   -1.8859    0.1164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5194   -2.3301   -0.2518 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4257   -1.3872   -0.7038 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0578   -0.0460   -0.7741 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8003    0.3783   -0.4021 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4279    1.8022   -0.4759 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5682    1.4352    0.5371 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8757    1.2559   -1.1516 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6611   -0.1571   -0.2768 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0229    0.5963    2.5303 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5525   -2.6109    0.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7650   -3.3864   -0.1889 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4146   -1.7311   -1.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7773    0.6617   -1.1262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6915    2.3440    0.4667 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9706    2.3095   -1.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3332    1.9345   -0.6187 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