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
    4.1274   -0.3057    0.1706 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7327   -0.2251   -0.3311 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3600    0.1025   -1.5561 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8933    0.0642   -1.6321 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1426    0.3089   -2.6220 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3775   -0.3128   -0.3512 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.5348   -0.4954    0.4649 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5021   -0.8372    1.6725 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9846   -0.4495    0.0684 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6386   -1.6287    0.2651 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9659   -1.6713    0.6981 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6336   -0.4809    0.9321 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9561    0.6998    0.7247 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6694    0.7274    0.3061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9951    2.0437    0.1092 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8270    0.1631   -0.5479 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2359    0.2508    1.1399 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3702   -1.3729    0.3418 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9907    0.3687   -2.4000 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1359   -2.5595    0.0919 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4643   -2.6177    0.8489 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6501   -0.5355    1.2669 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4905    1.6219    0.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2046    2.6973    0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4133    2.5293   -0.7927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1076    1.9149   -0.0042 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