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
    4.5315    0.6440   -0.2321 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6510   -0.0230    0.6521 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2748   -0.0269    0.4883 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5242   -0.7144    1.4246 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1293   -0.7675    1.3348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5522   -0.1397    0.3144 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2204    0.5373   -0.6037 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6178    0.5959   -0.5221 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9683   -0.1826    0.2180 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8395    0.5768   -0.6046 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4881    1.4554   -1.4281 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2259    0.1888   -0.3572 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2421   -0.7504    0.5563 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8639   -1.0302    0.9583 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5438   -1.8853    1.8205 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0876    1.6149   -0.6018 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9043    0.0206   -1.0541 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4147    0.9389    0.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0027   -1.2189    2.2374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3571   -1.3187    2.0995 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2519    1.0418   -1.4206 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2026    1.1335   -1.2552 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1168    0.5751   -0.8199 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1114   -1.2655    0.9816 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