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
    4.4851    0.0193   -0.1240 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5370    0.8354    0.5232 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2050    0.5764    0.3953 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7479   -0.4749   -0.3589 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4017   -0.7436   -0.4952 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5592    0.0479    0.1334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0777    1.0930    0.8828 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2675    1.3761    1.0295 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9370   -0.2601   -0.0376 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8947   -0.7189    0.9355 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6494   -0.9245    2.1431 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1986   -0.9008    0.2665 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0642   -0.5826   -1.0103 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6807   -0.1788   -1.2478 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2601    0.1799   -2.3803 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4882    0.4564    0.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2648   -0.1492   -1.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4728   -0.9664    0.4087 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4975   -1.0909   -0.8460 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0420   -1.5684   -1.0884 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7734    1.7459    1.3971 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6396    2.2015    1.6212 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0985   -1.2420    0.7687 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8556   -0.6181   -1.7463 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