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
    4.0794    0.2794    0.7387 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7896    0.0624   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6140   -0.0800   -1.3057 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1943   -0.2656   -1.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6499   -0.4362   -2.7203 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4596   -0.2305   -0.3597 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4706   -0.0194    0.6517 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2594    0.0748    1.8750 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9328   -0.3917   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4471   -1.6849   -0.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7618   -1.9932    0.0040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6336   -0.9405    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1326    0.3540    0.3583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7828    0.6275    0.1408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2889    2.0173    0.2076 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2235   -0.6036    1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9727    1.1687    1.3588 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9159    0.3275    0.0445 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3925   -0.0646   -2.0327 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7477   -2.5066   -0.4333 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1593   -2.9999   -0.0432 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6849   -1.0859    0.4773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8436    1.1435    0.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8830    2.2561    1.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5745    2.2720   -0.5956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1486    2.7195    0.0573 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