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
   -2.1413    1.8730   -1.3387 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5338    0.8714   -0.6715 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9035    0.4710   -0.4114 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9382   -0.6423    0.3326 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5573   -1.0305    0.5997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1891   -2.0435    1.2791 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6903   -0.0869   -0.0264 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2763   -0.0494   -0.0430 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4734   -0.7063   -0.9842 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8582   -0.6681   -0.9960 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5110    0.0613   -0.0204 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7892    0.7336    0.9412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3956    0.6690    0.9171 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0069    0.1441    0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7578    1.0263   -0.7871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8175   -1.1677    0.6795 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0432   -1.2787   -1.7508 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4573   -1.1889   -1.7433 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3330    1.2947    1.6894 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1590    1.1870    1.6599 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3133    0.3343    1.0777 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3855    1.0001   -0.5813 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4839   -0.8035   -0.2724 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