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
   -4.4759    0.0020    0.6048 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5772    0.7567   -0.1758 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2056    0.5630   -0.1268 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7236   -0.4068    0.7222 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3615   -0.6153    0.7860 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5334    0.1147    0.0283 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0193    1.0719   -0.8060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3336    1.3032   -0.8917 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9368   -0.1232    0.1154 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.9805    0.8114   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8182    2.0322   -0.3997 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2626    0.1218    0.1017 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0432   -1.1435    0.4100 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6010   -1.3560    0.4336 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9854   -2.4302    0.6866 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3053   -1.0924    0.3962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3313    0.1595    1.6984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5304    0.2091    0.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3718   -1.0149    1.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0408   -1.3891    1.4616 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7080    1.6699   -1.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7357    2.0777   -1.5682 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2363    0.5777    0.0085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7865   -1.8995    0.6120 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