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
    4.5549    0.3302   -0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5974   -0.5082    0.4628 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2345   -0.3569    0.3549 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4098   -1.2749    0.9755 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0324   -1.1869    0.9104 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5630   -0.1441    0.1996 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2703    0.7700   -0.4184 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398    0.6590   -0.3377 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9753   -0.0297    0.1164 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7850    0.6992    1.0284 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3587    1.3318    2.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1965    0.5766    0.6025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2503   -0.1737   -0.4924 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8735   -0.5795   -0.8372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5139   -1.2934   -1.8066 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4167   -0.3224   -0.4286 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2038    0.9200   -0.9667 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0179    1.0359    0.6376 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8571   -2.0947    1.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6139   -1.9209    1.4067 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2063    1.5711   -0.9645 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2252    1.4001   -0.8390 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9937    1.0455    1.1404 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1298   -0.4540   -1.0529 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