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
    4.4221    0.6225   -0.1199 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6197   -0.4948   -0.4046 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2387   -0.4157   -0.2918 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6517    0.7730    0.1034 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2904    0.8432    0.2123 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108   -0.2443   -0.0631 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0680   -1.4319   -0.4575 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4383   -1.5077   -0.5685 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9393   -0.1419    0.0601 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6747    1.0607   -0.2136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1782    2.1586   -0.5888 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0969    0.7889    0.0186 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2203   -0.4737    0.4023 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8927   -1.1122    0.4470 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6053   -2.2936    0.7632 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4714    0.3489   -0.3952 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1278    1.5149   -0.7293 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3891    0.8289    0.9689 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3221    1.6104    0.3118 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1554    1.7906    0.5251 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5728   -2.2902   -0.6746 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8883   -2.4532   -0.8818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9250    1.4779   -0.0952 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1562   -0.9592    0.6453 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