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
   -4.4740    0.4993   -0.0240 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5254    0.5332   -1.0530 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1807    0.3496   -0.8198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2960    0.3878   -1.8760 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0428    0.2045   -1.6357 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5475   -0.0189   -0.3673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3397   -0.0564    0.6913 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6976    0.1302    0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420   -0.2210   -0.1680 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5245   -1.2404    0.6219 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8886   -2.1151    1.2711 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9613   -1.0904    0.5462 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2614   -0.0573   -0.2296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9964    0.5380   -0.7163 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9459    1.5416   -1.4796 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2460   -0.2285    0.7928 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4096    0.0924   -0.4922 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6751    1.4713    0.4638 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6509    0.5632   -2.8869 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7476    0.2359   -2.4840 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0050   -0.2244    1.6981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3446    0.0926    1.2959 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7292   -1.7002    1.0283 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2473    0.3131   -0.4856 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