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
    4.3147   -0.9816    0.5044 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6563    0.0560   -0.1935 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2756    0.0870   -0.1603 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5375   -0.8518    0.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1642   -0.7400    0.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4934    0.2596   -0.1709 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2665    1.1854   -0.8472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6537    1.1273   -0.8617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9129    0.2777   -0.1273 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7772   -0.7075   -0.6626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4378   -1.7776   -1.2742 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1367   -0.2611   -0.3787 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1045    0.8928    0.2714 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7160    1.2903    0.4628 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3187    2.3513    1.0519 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.3939   -0.7029    0.5571 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9278   -1.0826    1.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1353   -1.9241   -0.0287 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0281   -1.6667    1.0734 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4267   -1.4867    1.0450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2701    1.9656   -1.3706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2159    1.8740   -1.4050 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0168   -0.8233   -0.6750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9586    1.4886    0.6274 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