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
    4.4029    0.7868   -0.1516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6366   -0.3779   -0.2269 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2421   -0.3167   -0.1413 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5327   -1.5195   -0.2249 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1609   -1.4336   -0.1394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5136   -0.2357    0.0214 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2362    0.9159    0.0974 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6086    0.8916    0.0181 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9381   -0.2006    0.1014 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8254   -1.1444    0.6768 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4568   -2.2154    1.2292 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2010   -0.6368    0.5033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1740    0.5185   -0.1237 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7597    0.8414   -0.4020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3629    1.8740   -0.9901 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4394    0.5934   -0.5667 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9919    1.5922   -0.7938 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5200    1.1731    0.9020 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0770   -2.4438   -0.3501 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3977   -2.3447   -0.2025 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2680    1.8720    0.2220 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1709    1.8301    0.0870 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0994   -1.1659    0.8542 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0223    1.1461   -0.3997 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