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
    4.4380   -0.0539    1.0177 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6065   -0.7325    0.0879 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2419   -0.5293   -0.0062 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5264   -1.2446   -0.9444 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1437   -1.0458   -1.0505 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5465   -0.1803   -0.2735 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1803    0.5574    0.6898 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5519    0.3481    0.7826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9523    0.0425   -0.3827 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0394   -0.8235   -0.5820 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9083   -2.0739   -0.7134 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2680   -0.0206   -0.6053 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9656    1.2613   -0.4315 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5290    1.3564   -0.2870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8523    2.4009   -0.1056 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3487   -0.6010    1.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4941    0.0129    0.6617 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1077    1.0100    1.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9961   -1.9366   -1.5902 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4202   -1.6156   -1.7960 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3822    1.2425    1.2921 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1115    0.9230    1.5262 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2526   -0.4045   -0.7356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6305    2.1070   -0.3965 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