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
    2.3001    0.6180   -2.2377 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6015    0.4450   -1.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9797    0.4938   -0.4664 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8932    0.2701    0.8384 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4912    0.0639    1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0160   -0.1682    2.3514 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6854    0.1780    0.0379 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2649    0.0474   -0.0298 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5505    0.9879   -0.6175 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9273    0.8655   -0.6713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5246   -0.2369   -0.1184 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7191   -1.1852    0.4729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3418   -1.0563    0.5229 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0133   -0.4230   -0.1456 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8654    0.6825   -1.0477 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7372    0.2426    1.5336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1028    1.8642   -1.0557 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5606    1.6053   -1.1336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2055   -2.0463    0.9040 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2640   -1.8118    0.9938 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3892   -0.6590    0.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2436   -1.2933   -0.7922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5202    0.5156   -0.4498 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