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
    3.9788   -0.0106   -0.9440 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7474    0.0195   -0.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6322   -0.1632    1.1696 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2359   -0.0524    1.6116 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524   -0.1676    2.7637 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4762    0.2218    0.4610 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4020    0.2705   -0.6256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1429    0.4908   -1.8405 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9141    0.4325    0.2646 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4922    1.6752    0.4208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8442    1.8860    0.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6522    0.8279   -0.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0837   -0.4231   -0.2858 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7211   -0.6253   -0.0923 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1715   -1.9942   -0.2781 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3684   -1.0523   -1.0674 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7451    0.3247   -1.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7573    0.6966   -0.5782 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4300   -0.3745    1.8766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8308    2.4985    0.7049 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2938    2.8604    0.3539 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7136    0.9689   -0.2807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7531   -1.2181   -0.5651 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1120   -2.0614   -0.0383 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7733   -2.7259    0.3157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3128   -2.3049   -1.3430 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