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
    1.9164   -0.2798   -2.2077 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1819   -0.3799   -0.9670 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5180   -0.6392   -0.3960 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4156   -0.6776    0.9310 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0188   -0.4468    1.2725 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5405   -0.4122    2.4485 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2342   -0.2579    0.0915 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1581   -0.0061   -0.0413 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6964    0.6353   -1.1391 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0700    0.8815   -1.2550 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9292    0.4846   -0.2620 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3923   -0.1551    0.8324 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0375   -0.3994    0.9488 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3163    0.7210   -0.3569 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4459   -0.7801   -0.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2616   -0.8562    1.6068 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0283    0.9503   -1.9207 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4730    1.3839   -2.1227 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0970   -0.4585    1.6042 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6436   -0.9077    1.8258 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6912    1.6000    0.0237 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