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
    4.0631   -0.7369    0.4247 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7146   -0.4554   -0.1134 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3849   -0.5825   -1.3884 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9751   -0.2226   -1.5689 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3877   -0.2495   -2.6751 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4430    0.1423   -0.3016 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5311   -0.0041    0.6035 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5104    0.2137    1.8407 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8662    0.5639    0.0364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0743    1.9114    0.3531 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3266    2.3478    0.6854 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3940    1.4590    0.7101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1645    0.1341    0.3940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9076   -0.3373    0.0536 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6675   -1.7646   -0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0218   -0.9810    1.5107 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5425   -1.5758   -0.1314 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7202    0.1583    0.3471 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0480   -0.8998   -2.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2050    2.5690    0.3199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4782    3.4004    0.9304 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3671    1.8376    0.9758 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9999   -0.5609    0.4131 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4416   -2.1264   -0.9956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6504   -1.9090   -0.6491 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7994   -2.3318    0.6794 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