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
    4.5212    0.4302   -0.2032 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6108   -0.5012    0.3285 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2347   -0.3659    0.2555 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6734    0.7295   -0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2955    0.8459   -0.4176 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5347   -0.1119    0.1214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0485   -1.2088    0.7344 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4340   -1.3410    0.8049 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9536   -0.0249    0.0761 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7869    0.3129   -1.0252 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3626    0.6075   -2.1813 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1897    0.2659   -0.6205 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2367   -0.0800    0.6568 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8708   -0.2790    1.1608 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5107   -0.6099    2.3122 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4071    1.4079    0.3288 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3385    0.5531   -1.2721 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5799    0.0942   -0.0676 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2790    1.5044   -0.7929 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1693    1.6985   -0.8860 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5230   -2.0052    1.1831 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8967   -2.1955    1.2825 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0434    0.4783   -1.2508 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1379   -0.2049    1.2603 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