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
   -1.8848    1.6956    1.4542 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1860    0.8273    0.5830 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5521    0.5016    0.1433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4927   -0.4625   -0.7873 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0743   -0.7955   -0.9823 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5816   -1.6476   -1.7646 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2668    0.0129   -0.1241 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1433    0.0311    0.0262 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9674    0.6842   -0.8779 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3411    0.6832   -0.7125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9563    0.0446    0.3403 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1491   -0.6096    1.2475 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7839   -0.6045    1.0770 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3465    0.0828    0.4506 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4840    0.9329    0.4761 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3439   -0.8985   -1.2900 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4752    1.1809   -1.7009 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9680    1.2049   -1.4411 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6523   -1.1127    2.0809 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1461   -1.1170    1.7869 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9371   -0.6338    0.0148 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