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
    2.2643    1.6442    1.8060 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5498    0.6441    1.0908 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8774    0.0440    0.9136 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8005   -0.9902    0.0916 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4172   -1.1760   -0.3535 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0144   -2.0824   -1.1452 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6793   -0.1488    0.2853 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2842    0.0445    0.1426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2903    1.0217   -0.6280 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6707    1.1501   -0.7061 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4834    0.2825    0.0018 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8896   -0.6836    0.7626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5266   -0.8168    0.8447 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9833    0.3971   -0.0560 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7756    0.4261    1.4104 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6168   -1.6334   -0.2286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3389    1.7182   -1.1942 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1390    1.9073   -1.3059 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4948   -1.3781    1.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0715   -1.6075    1.4715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3445    0.2534    0.9924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3024    1.4050   -0.3832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4220   -0.4215   -0.6435 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