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
    4.1187   -0.5082   -0.3329 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7477    0.0069   -0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5226    1.2527    0.3380 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1022    1.4824    0.5529 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5403    2.5563    0.9188 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4531    0.2265    0.2631 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4686   -0.6823   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3028   -1.8817   -0.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9349    0.0724    0.3762 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5706    0.2178    1.6079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9335    0.0681    1.7484 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7212   -0.2346    0.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1124   -0.3816   -0.5664 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7232   -0.2276   -0.7036 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1006   -0.3907   -2.0402 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7013    0.2947   -0.8717 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1153   -1.3803   -0.9980 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5907   -0.7910    0.6163 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2559    2.0543    0.4907 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9217    0.4569    2.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4154    0.1809    2.7037 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8058   -0.3583    0.7463 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7232   -0.6185   -1.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3025    0.3209   -2.2638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7476   -1.4453   -2.1836 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9065   -0.2908   -2.8244 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