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
   -4.5252    0.1564    0.0696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5838   -0.6259    0.7345 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2337   -0.4276    0.6276 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3643   -1.2764    1.3419 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0296   -1.0602    1.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5431   -0.0754    0.4455 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3204    0.7447   -0.2454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7076    0.5691   -0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9765    0.0989    0.3550 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7308    1.2831    0.4121 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2348    2.4341    0.5630 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1273    0.9021    0.2650 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2457   -0.4052    0.1276 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9036   -0.9653    0.1776 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6403   -2.1725    0.0795 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4385   -0.4642   -0.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1234    0.5135   -0.9009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8049    1.0561    0.6831 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8331   -2.0415    1.9419 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6471   -1.7076    1.7632 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1135    1.5352   -0.8665 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3366    1.2631   -0.7287 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9460    1.6035    0.2652 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1924   -0.9377   -0.0013 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