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
   -1.5777   -2.4046    0.4289 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0076   -1.2498    0.1736 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4351   -0.9351    0.0112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5619    0.3521   -0.2483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2311    0.9672   -0.2739 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9376    2.1724   -0.4879 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2673   -0.0354   -0.0104 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1654    0.0783    0.0686 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7696    1.2595    0.4325 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1403    1.3763    0.5109 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9196    0.2817    0.2171 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3562   -0.9172   -0.1503 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9818   -0.9951   -0.2176 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2958    0.4088    0.2992 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2530   -1.6318    0.0897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4848    0.8827   -0.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1285    2.1212    0.6629 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651    2.3361    0.8046 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0126   -1.7402   -0.3683 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5044   -1.9391   -0.5087 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9169   -0.3879    0.0879 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