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
    2.0155   -2.0448    0.5282 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2141   -0.8131    0.3159 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5336   -0.1989    0.3036 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4409    1.0945    0.0574 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0198    1.3808   -0.1044 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5084    2.5054   -0.3522 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2469    0.1974    0.0551 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1576    0.0013   -0.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8479    0.4533   -1.1344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2198    0.2751   -1.2308 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9487   -0.3475   -0.2399 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2629   -0.7957    0.8687 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8955   -0.6208    0.9703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3298   -0.5243   -0.3419 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4608   -0.7134    0.4714 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2777    1.8093   -0.0120 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2758    0.9483   -1.9224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7682    0.6216   -2.0890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8090   -1.2960    1.6752 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3281   -0.9634    1.8374 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8744   -0.9691    0.3601 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