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
    3.9647   -0.7563   -0.3101 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6733   -0.1142    0.0636 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5924    0.8002    1.0266 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1701    1.1975    1.1047 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7233    2.0457    1.9069 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4310    0.4644    0.1354 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.3832   -0.3581   -0.5152 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1353   -1.1633   -1.4424 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9575    0.5381   -0.1269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5496    1.7102   -0.5443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9029    1.7540   -0.7932 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6670    0.5931   -0.6163 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0688   -0.5736   -0.1992 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7149   -0.6156    0.0492 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0460   -1.8383    0.4942 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4051   -1.1361    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6411    0.0144   -0.7157 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8300   -1.5461   -1.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3857    1.1921    1.6424 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9339    2.5787   -0.6690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3225    2.6788   -1.1139 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7223    0.6201   -0.8085 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6562   -1.4550   -0.0662 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7422   -2.3649    1.2130 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1047   -1.6853    1.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9469   -2.5806   -0.3482 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