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
    4.0553   -0.9594   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6614   -0.7715    0.2589 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3028   -0.7689    1.5428 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8649   -0.5607    1.6655 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1989   -0.5062    2.7157 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3181   -0.4243    0.3329 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4449   -0.5590   -0.5215 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3925   -0.5025   -1.7859 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0547   -0.1956    0.0281 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0143   -1.1754    0.1455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3638   -0.9378   -0.1262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7549    0.3166   -0.5270 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8157    1.3168   -0.6539 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4922    1.0493   -0.3778 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5194    2.1516   -0.5260 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0496   -1.3734   -1.2510 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6698   -1.5082    0.4951 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4955    0.0777   -0.3383 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0067   -0.9045    2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6990   -2.1529    0.4553 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0805   -1.7540   -0.0124 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7847    0.5434   -0.7466 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1501    2.2938   -0.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0631    2.2677    0.4113 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1967    1.9226   -1.3465 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9909    3.1147   -0.7816 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