Monomers

1-(4-Methylphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-methylphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO2/c1-8-2-4-9(5-3-8)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
KCFXNGDHQPMIAQ-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)C
Canonical SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
CC1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO2
Heavy Atom Count
14
Molecular Weight
187.198
Exact Molecular Weight
187.0633
Valence Electrons
70
Radical Electrons
0
tPSA
37.38
MolLogP
1.4244
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

 23 24  0  0  0  0  0  0  0  0999 V2000
    1.8348   -2.3563   -0.8569 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3742   -1.2368   -0.5801 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8024   -0.9225   -0.6595 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9638    0.3230   -0.2976 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6863    0.9304    0.0457 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4534    2.1186    0.4386 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6953   -0.0690   -0.1386 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2903   -0.0024    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4908    0.3771   -1.0152 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8807    0.4640   -0.8961 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5129    0.1732    0.2940 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7326   -0.2057    1.3625 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3493   -0.2910    1.2401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0039    0.2732    0.3982 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5396   -1.6311   -0.9674 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9176    0.8269   -0.2605 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0311    0.6133   -1.9663 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5033    0.7638   -1.7401 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1938   -0.4398    2.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2831   -0.5903    2.0793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4868   -0.7182    0.1814 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3376    0.9493   -0.4157 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3180    0.6503    1.3929 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
 14 22  1  0
 14 23  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers