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
    4.5705    0.1131   -0.3102 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5244   -0.6301   -0.8612 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1845   -0.4670   -0.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2256   -1.2574   -1.2008 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1002   -1.0640   -0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5616   -0.1116   -0.0086 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3891    0.6633    0.5957 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7496    0.4767    0.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9571    0.0671    0.2535 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5958    1.2167    0.8296 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0212    2.2572    1.2106 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0441    0.9743    0.9023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2929   -0.2269    0.4143 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0116   -0.8378   -0.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9337   -1.9889   -0.5132 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4454    0.1828   -1.0076 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2288    1.1620   -0.1885 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9220   -0.3084    0.6571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5513   -2.0006   -1.8930 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8742   -1.6836   -1.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1238    1.4258    1.3020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4997    1.0827    0.7822 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7723    1.6661    1.2918 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2500   -0.7118    0.3214 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