Monomers

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

Identifiers

IUPAC name
1-(4-methoxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C11H9NO3/c1-15-9-4-2-8(3-5-9)12-10(13)6-7-11(12)14/h2-7H,1H3
InchI Key
XAHCEMQKWSQGLQ-UHFFFAOYSA-N
SMILES
COc1ccc(cc1)N1C(=O)C=CC1=O
Canonical SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Isomeric SMILES
COC1=CC=C(C=C1)N2C(=O)C=CC2=O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C11H9NO3
Heavy Atom Count
15
Molecular Weight
203.197
Exact Molecular Weight
203.0582
Valence Electrons
76
Radical Electrons
0
tPSA
46.61
MolLogP
1.1246
H Bond Acceptors
3
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

 24 25  0  0  0  0  0  0  0  0999 V2000
    4.5277    0.1627    0.4991 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6382   -0.0317   -0.5817 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2601   -0.1356   -0.4083 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4636   -0.3255   -1.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0852   -0.4361   -1.4028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5506   -0.3602   -0.1777 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2597   -0.1696    0.9210 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6424   -0.0584    0.8155 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9493   -0.4759   -0.0672 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7042   -0.7504    1.1177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2766   -0.9375    2.2777 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1480   -0.7893    0.7840 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2330   -0.5543   -0.4987 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9213   -0.3524   -1.0865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7123   -0.1113   -2.2945 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5635   -0.1374    0.2366 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1813   -0.5233    1.3244 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4953    1.2054    0.8637 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8945   -0.3935   -2.5110 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4570   -0.5828   -2.3122 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1631   -0.0955    1.9317 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    0.0876    1.6891 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9621   -0.9708    1.4458 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1859   -0.5172   -1.0529 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  6  7  1  0
  7  8  2  0
  6  9  1  0
  9 10  1  0
 10 11  2  0
 10 12  1  0
 12 13  2  0
 13 14  1  0
 14 15  2  0
  8  3  1  0
 14  9  1  0
  1 16  1  0
  1 17  1  0
  1 18  1  0
  4 19  1  0
  5 20  1  0
  7 21  1  0
  8 22  1  0
 12 23  1  0
 13 24  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers