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
    4.0046   -0.7644   -0.7955 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7139   -0.2244   -0.2879 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6845    0.6184    0.7568 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3087    0.9937    1.0488 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9201    1.7730    1.9675 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4974    0.2925    0.0740 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3522   -0.4609   -0.7552 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0249   -1.1988   -1.7151 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9067    0.4659    0.0889 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4988    1.6713   -0.2891 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8551    1.8778   -0.2701 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6777    0.8441    0.1437 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1392   -0.3594    0.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7457   -0.5355    0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2172   -1.8507    0.9267 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6227    0.0134   -1.3094 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6136   -1.0417    0.1158 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8746   -1.6810   -1.4056 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5250    0.9957    1.3321 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7848    2.4446   -0.6029 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2915    2.8257   -0.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7627    1.0010    0.1644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8179   -1.1151    0.8322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1471   -1.8134    2.0389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9902   -2.6293    0.6561 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3074   -2.1427    0.4244 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