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
   -1.8277   -1.6849    1.7945 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1594   -0.7948    0.9942 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5453   -0.3686    0.7025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5120    0.6002   -0.1979 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1012    0.8618   -0.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6617    1.7090   -1.3636 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2701   -0.0160    0.2060 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1725   -0.0717    0.1501 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9171    1.0654   -0.0693 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825    1.0533   -0.1287 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9395   -0.1474    0.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2124   -1.3079    0.2606 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8242   -1.2675    0.3164 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3467   -0.1939   -0.0177 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4628   -0.7489    1.1229 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3818    1.1017   -0.5980 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4201    2.0172   -0.2024 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8819    1.9467   -0.3014 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7764   -2.2244    0.3853 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2972   -2.1896    0.4909 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8516    0.6606   -0.1804 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