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
   -4.5474    0.7486   -0.2150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6311   -0.1968    0.2379 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2662   -0.1503    0.1307 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5235   -1.2104    0.6556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1672   -1.2029    0.5695 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5510   -0.1726   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2048    0.8633   -0.5385 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5811    0.8798   -0.4644 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9696   -0.2048   -0.1000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.8762    0.4550    0.7738 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5487    1.1751    1.7576 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2684    0.1733    0.3595 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2019   -0.6115   -0.7032 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8105   -0.8853   -1.0423 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3819   -1.5913   -1.9905 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.6080    0.3738   -0.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4362    1.0058   -1.3100 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4953    1.6499    0.4146 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9965   -2.0572    1.1386 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4484   -2.0162    0.9693 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2968    1.6795   -1.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1628    1.7154   -0.8774 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1659    0.5459    0.8435 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1008   -0.9663   -1.2067 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