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
    4.1869   -0.1503    0.6240 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8071   -0.3321    0.0495 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4230   -1.1692   -0.8850 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9966   -1.0282   -1.1550 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3319   -1.6959   -2.0032 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4938   -0.0109   -0.2974 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6229    0.4180    0.4487 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5599    1.3332    1.3319 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8252    0.4944   -0.1781 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1214    1.8473   -0.2909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3893    2.3554   -0.1789 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4262    1.4984    0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1794    0.1430    0.1757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8868   -0.3512    0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7087   -1.8174    0.2000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0743   -0.1264    1.7274 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8171   -0.9992    0.3462 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6467    0.8041    0.2475 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1087   -1.8762   -1.3846 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2777    2.5024   -0.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5896    3.4188   -0.2720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4416    1.8863    0.1478 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0313   -0.5021    0.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7212   -2.1166    0.5513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4435   -2.1859    0.9748 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0272   -2.3398   -0.7436 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