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
    1.7333   -2.3966    0.0927 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1046   -1.1767    0.0956 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4882   -0.7314    0.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5184    0.5843    0.1346 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1521    1.0816    0.0677 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8671    2.2934    0.0394 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2561   -0.0373    0.0423 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1778   -0.0034   -0.0241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8735   -1.1120   -0.4125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2668   -1.1016   -0.4732 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9731    0.0317   -0.1410 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2548    1.1557    0.2557 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8767    1.1300    0.3099 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3582    0.0843   -0.1885 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3429   -1.3941    0.2005 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4453    1.1520    0.1723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3649   -2.0254   -0.6849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8104   -1.9804   -0.7802 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7648    2.0714    0.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3358    2.0044    0.6195 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8513    0.3700   -1.0193 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