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
    4.5080   -0.7354   -0.1879 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6273    0.1325    0.4559 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2584    0.1409    0.3260 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4922    1.0727    1.0347 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1152    1.1094    0.9293 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5394    0.2070    0.1041 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2491   -0.7082   -0.5888 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6238   -0.7567   -0.4935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9564    0.2147   -0.0300 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8789   -0.1630    0.9790 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6835   -0.5684    2.1573 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2535   -0.0185    0.4551 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1666    0.4247   -0.8077 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7549    0.5823   -1.1468 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3158    0.9804   -2.2532 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5250   -0.2738   -0.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7079   -1.6455    0.4350 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1904   -1.0988   -1.1704 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9595    1.7937    1.6882 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4865    1.8368    1.4833 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2232   -1.4267   -1.2409 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1965   -1.5043   -1.0661 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1692   -0.2169    0.9479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0252    0.6211   -1.4366 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