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
    3.9759    0.5218    0.8539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6878    0.5112    0.1075 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4146    1.1379   -1.0195 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0484    0.8819   -1.4346 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4440    1.3116   -2.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4897    0.0366   -0.4627 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4956   -0.2071    0.5081 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4067   -0.9138    1.5437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8339   -0.5184   -0.3902 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1842   -1.6919   -1.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4700   -2.1831   -0.9208 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4559   -1.5405   -0.1987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1092   -0.3650    0.4347 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8114    0.1321    0.3343 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4555    1.3945    1.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7757    0.6584    1.9566 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5020   -0.4343    0.7151 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5773    1.4051    0.5497 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1503    1.7635   -1.5458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4089   -2.2053   -1.5935 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7417   -3.1174   -1.4240 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4706   -1.9157   -0.1121 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8678    0.1647    1.0132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9657    2.2256    0.4604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3702    1.5369    1.0257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8228    1.4106    2.0555 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