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
   -1.8044   -0.9296    2.1765 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1293   -0.3691    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5146   -0.0268    0.6988 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5310    0.5508   -0.4802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1261    0.6224   -0.9305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8011    1.1267   -2.0350 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2675    0.0543    0.0433 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1671   -0.0695    0.0110 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8142   -0.0599   -1.1954 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2144   -0.1658   -1.2718 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9566   -0.2806   -0.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3064   -0.2900    1.0895 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9038   -0.1838    1.1657 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3638   -0.3905   -0.1615 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4085   -0.2239    1.2901 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3804    0.9115   -1.0427 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2407    0.0246   -2.1044 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7258   -0.1620   -2.2077 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8915   -0.3792    2.0024 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4200   -0.1933    2.1090 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9586    0.4337   -0.1348 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