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
    4.5957    0.1148    0.2463 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6268   -0.2976   -0.6498 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2519   -0.2108   -0.4511 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4006   -0.6623   -1.4330 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0066   -0.5920   -1.2707 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5754   -0.0755   -0.1355 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2998    0.3702    0.8350 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6943    0.3062    0.6865 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9819    0.0120    0.0450 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7188    0.4268    1.1868 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2412    0.8025    2.2925 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1681    0.3550    0.8857 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3317   -0.0696   -0.3414 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0155   -0.2986   -0.9115 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8045   -0.7116   -2.0834 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2619    0.2080    1.2966 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4671   -0.5982    0.2427 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0556    1.0991   -0.0161 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8118   -1.0789   -2.3472 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6119   -0.9589   -2.0636 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0809    0.7876    1.7402 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3094    0.6777    1.4924 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9450    0.6183    1.5913 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3065   -0.2243   -0.8376 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