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
   -1.3389    2.3843   -0.6075 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8887    1.2814   -0.3844 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3350    1.0918   -0.3713 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6336   -0.1861   -0.1112 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3468   -0.8839    0.0577 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2038   -2.1054    0.3153 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2658    0.0134   -0.1087 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1361   -0.1397   -0.0342 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9335   -0.6655   -1.0205 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3096   -0.7902   -0.8898 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9421   -0.3784    0.2717 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1511    0.1526    1.2720 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7998    0.2719    1.1322 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3176   -0.4918    0.4343 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1039    1.8286   -0.5342 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6369   -0.5974   -0.0405 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4715   -1.0061   -1.9569 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9183   -1.2116   -1.6828 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6428    0.4816    2.1848 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1625    0.6915    1.9131 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9685    0.2590    0.1608 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