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
   -4.5654    0.1327    0.1210 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5445   -0.8082   -0.0355 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1995   -0.5477   -0.0885 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3125   -1.6109   -0.2458 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0578   -1.4387   -0.3027 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5763   -0.1471   -0.2006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281    0.8982   -0.0465 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6905    0.7307    0.0109 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9691    0.0903   -0.2106 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7592    0.6027   -1.2597 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3389    0.9271   -2.4012 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1625    0.6945   -0.8026 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2112    0.2649    0.4422 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8558   -0.1322    0.8754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5265   -0.5931    2.0174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3379   -0.3455    0.7915 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0967    0.4062   -0.8092 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2751    1.0594    0.6488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6702   -2.6127   -0.3338 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7524   -2.2672   -0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1023    1.8747    0.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3814    1.5670    0.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9960    1.0432   -1.3737 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0938    0.2114    1.0482 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