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
   -1.8704    1.1887    1.8911 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1640    0.5642    0.8398 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5440    0.3133    0.3872 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5134   -0.3637   -0.7454 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0972   -0.6003   -1.1079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6405   -1.2071   -2.1122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2749   -0.0134   -0.1063 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1404    0.0295   -0.0005 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8162   -0.8223    0.8478 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1897   -0.8091    0.9761 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9648    0.0762    0.2456 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2843    0.9278   -0.6028 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9131    0.9146   -0.7308 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3547    0.1080    0.3584 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4134    0.6486    0.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3526   -0.6996   -1.3284 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2273   -1.5211    1.4268 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7067   -1.4968    1.6580 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9008    1.6294   -1.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4029    1.5963   -1.4061 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9697   -0.4633   -0.2353 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