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
    2.2293    1.7899    1.3442 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5604    0.7967    0.6456 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9077    0.3383    0.3405 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8508   -0.7410   -0.4258 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4481   -1.0873   -0.6914 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0037   -2.0340   -1.3692 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6763   -0.1042   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2703   -0.0170    0.0336 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4186   -0.8617    0.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8085   -0.7873    0.9103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5037    0.1164    0.1368 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7809    0.9456   -0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4123    0.8873   -0.7408 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9982    0.1937    0.1889 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7916    0.8516    0.7192 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   -1.2570   -0.7770 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1397   -1.5717    1.4706 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3567   -1.4593    1.5762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3048    1.6764   -1.3165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1522    1.5658   -1.4152 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3545    0.6927    1.1224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3243    0.8443   -0.6425 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4850   -0.7782    0.0841 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