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
   -4.4774    0.2417   -0.3976 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4981    1.2076   -0.0277 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1416    0.8541    0.0188 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7600   -0.4358   -0.2958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4368   -0.7877   -0.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5566    0.1108    0.1004 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1697    1.3973    0.4136 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1720    1.7536    0.3694 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9209   -0.2784    0.1370 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6983   -0.7251   -0.9839 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2900   -0.8364   -2.1503 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0622   -1.0257   -0.4978 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1172   -0.7856    0.8031 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8089   -0.3183    1.2461 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4824    0.0085    2.4245 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3993   -0.0060   -1.4727 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3751   -0.6994    0.1850 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4806    0.6473   -0.1887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5009   -1.1445   -0.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1420   -1.8025   -0.5003 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8903    2.1606    0.7007 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5091    2.7692    0.6125 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8861   -1.3835   -1.0989 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0102   -0.9216    1.4251 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