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
    4.0458    0.0400    1.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7625   -0.0312    0.3569 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6028   -0.5126   -0.8670 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1962   -0.3972   -1.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6820   -0.7507   -2.3065 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4709    0.1982   -0.1329 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4570    0.4290    0.8659 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2219    0.9479    2.0004 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9332    0.4726   -0.1130 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4024    1.7675    0.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7557    2.0491    0.0229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6090    0.9634   -0.0792 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1866   -0.3325   -0.1952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8258   -0.5747   -0.2118 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3461   -1.9820   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9771   -0.3669    2.1189 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8070   -0.5935    0.5668 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4776    1.0697    1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4290   -0.9093   -1.4412 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6708    2.5691    0.0787 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1441    3.0603    0.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6876    1.1423   -0.0673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9067   -1.1516   -0.2727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3001   -2.0914   -0.0082 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9616   -2.6531    0.3222 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3999   -2.3626   -1.3746 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