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
    4.3974    1.0255   -0.7139 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6949   -0.0542   -0.1789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3114   -0.1129   -0.0695 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4989    0.9335   -0.4972 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1214    0.8935   -0.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5125   -0.2162    0.1466 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3050   -1.2426    0.5650 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6788   -1.2119    0.4689 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9264   -0.2890    0.2651 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8713   -0.0606   -0.7697 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5654    0.2471   -1.9560 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2179   -0.2359   -0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1538   -0.5600    1.0538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7330   -0.6000    1.3997 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2817   -0.8712    2.5384 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3928    1.9281   -0.0914 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4422    0.6784   -0.8868 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9731    1.2322   -1.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9643    1.8266   -0.9319 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4820    1.7235   -0.7389 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1876   -2.1156    0.9913 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3253   -2.0221    0.7997 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1779   -0.1426   -0.7437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9959   -0.7537    1.7129 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