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
    4.4358    0.9861   -0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6776   -0.1842    0.0731 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2733   -0.1788    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5585    0.9892   -0.0946 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1579    0.9855   -0.0986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5083   -0.1986    0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2285   -1.3472    0.2239 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6252   -1.3876    0.2337 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9480   -0.2419    0.0669 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7540   -1.4039    0.0930 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4127   -2.6408    0.1178 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1604   -0.9685    0.0871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1996    0.3262    0.0600 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8226    0.8646    0.0460 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5685    2.1014    0.0197 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9472    1.5919   -0.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4545    0.7623   -0.5085 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5327    1.5683    0.8524 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0696    1.9168   -0.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3688    1.9194   -0.2332 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2404   -2.3357    0.3610 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1533   -2.3300    0.3644 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9938   -1.6924    0.1042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1370    0.8978    0.0493 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