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
    4.4686   -0.5787   -0.6369 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5577    0.4927   -0.6125 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2045    0.3906   -0.3955 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4214    1.5495   -0.3995 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0799    1.3868   -0.1785 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5319    0.1701    0.0436 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2854   -0.9350    0.0369 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6431   -0.8604   -0.1771 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9335    0.0786    0.2648 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9415   -0.1941   -0.7316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6821   -0.3870   -1.9500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2560   -0.2053   -0.0978 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0911    0.0423    1.2059 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6715    0.2245    1.4743 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1402    0.4739    2.5891 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8143   -0.7195    0.4277 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0590   -1.5064   -1.0747 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3705   -0.2617   -1.2324 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8773    2.5260   -0.5720 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5515    2.2563   -0.1746 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1410   -1.9056    0.2042 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2683   -1.7450   -0.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1982   -0.3832   -0.5943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9113    0.0907    1.9122 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