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
    4.0525   -0.3829   -0.0139 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6918    0.2108   -0.0937 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4631    1.5140   -0.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0302    1.7510   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5060    2.8845   -0.1945 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4018    0.4623   -0.2399 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4330   -0.5158   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3403   -1.7740   -0.2140 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9722    0.2232   -0.3336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7351    0.8034   -1.3300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0927    0.5912   -1.4542 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7067   -0.2374   -0.5399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9452   -0.8166    0.4546 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5835   -0.6056    0.5816 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8686   -1.2776    1.6852 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5934   -0.0690   -0.9523 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0343   -1.4702    0.0941 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6140    0.1236    0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2023    2.3027   -0.0270 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2968    1.4708   -2.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6571    1.0756   -2.2643 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7711   -0.3902   -0.6554 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4712   -1.4730    1.1671 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0462   -0.7806    2.0007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7407   -2.3758    1.4856 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5681   -1.2446    2.5716 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