Monomers

1-(4-Hydroxyphenyl)-1H-pyrrole-2,5-dione

Identifiers

IUPAC name
1-(4-hydroxyphenyl)pyrrole-2,5-dione
InchI
InChI=1S/C10H7NO3/c12-8-3-1-7(2-4-8)11-9(13)5-6-10(11)14/h1-6,12H
InchI Key
BLLFPKZTBLMEFG-UHFFFAOYSA-N
SMILES
O=C1C=CC(=O)N1c1ccc(cc1)O
Canonical SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
Isomeric SMILES
C1=CC(=CC=C1N2C(=O)C=CC2=O)O
Resources
cid=

Structures

2D Structure
3D Structure

Molecular Formula and Computed Descriptors

Molecular Formula
C10H7NO3
Heavy Atom Count
14
Molecular Weight
189.17
Exact Molecular Weight
189.0426
Valence Electrons
70
Radical Electrons
0
tPSA
57.61
MolLogP
0.8216
H Bond Acceptors
3
H Bond Donors
1
Aliphatic Carbocycles
0
Aromatic Carbocycles
1
Aliphatic Heterocycles
1
Aromatic Heterocycles
0
Aliphatic Rings
1
Aromatic Rings
1

MOL File


     RDKit          3D

 21 22  0  0  0  0  0  0  0  0999 V2000
   -1.6674   -1.4346   -1.9299 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0907   -0.7555   -0.9500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5060   -0.5719   -0.6069 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5586    0.1941    0.4730 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2044    0.5499    0.8916 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8366    1.2623    1.8708 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2681   -0.0587   -0.0200 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1505    0.0345    0.0257 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8968   -0.8820    0.7400 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2726   -0.7984    0.7892 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9572    0.1999    0.1296 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2260    1.1239   -0.5889 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8532    1.0233   -0.6257 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3468    0.2854    0.1785 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3455   -1.0086   -1.1703 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4697    0.5191    0.9845 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3992   -1.6792    1.2706 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8795   -1.5123    1.3477 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7360    1.9267   -1.1225 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3073    1.7578   -1.1940 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9221   -0.1756   -0.4929 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0
  2  3  1  0
  3  4  2  0
  4  5  1  0
  5  6  2  0
  5  7  1  0
  7  8  1  0
  8  9  2  0
  9 10  1  0
 10 11  2  0
 11 12  1  0
 12 13  2  0
 11 14  1  0
  7  2  1  0
 13  8  1  0
  3 15  1  0
  4 16  1  0
  9 17  1  0
 10 18  1  0
 12 19  1  0
 13 20  1  0
 14 21  1  0
M  END

Similar Monomers

Structure
Similarity
IUPAC name
MF
Copolymers