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
    4.4674    0.4226   -0.0543 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6146   -0.6841    0.1243 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2355   -0.4756    0.1256 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7044    0.7832   -0.0591 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3090    0.8858   -0.0297 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5148   -0.1935    0.1681 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0354   -1.4374    0.3467 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4248   -1.5778    0.3234 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9587   -0.0431    0.2489 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6562    1.1716    0.4767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1475    2.3130    0.6248 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1075    0.9113    0.5219 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2490   -0.3654    0.3340 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9510   -1.0359    0.1540 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7773   -2.2628   -0.0415 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3544    1.1487    0.7913 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2763    1.0118   -0.9706 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5427    0.0850   -0.0802 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3369    1.6501   -0.2200 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1091    1.8823   -0.1853 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5871   -2.3226    0.5041 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8474   -2.5582    0.4677 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9096    1.6359    0.6749 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1808   -0.9450    0.3012 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