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
    1.7814    1.9080   -1.4290 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038    0.8486   -0.8432 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4688    0.3706   -0.7428 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5326   -0.7627   -0.0749 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1400   -1.0916    0.3131 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8898   -2.1190    0.9652 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2500   -0.0936   -0.1634 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1702   -0.0252   -0.0182 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9232    0.8974   -0.7066 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3230    0.9716   -0.5604 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9679    0.1070    0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2406   -0.8149    0.9794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8400   -0.8840    0.8300 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3715    0.1716    0.4436 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3578    0.8702   -1.1586 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4234   -1.3321    0.1512 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4635    1.5915   -1.3820 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9117    1.6991   -1.1084 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7275   -1.4973    1.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2901   -1.6035    1.3807 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7185    0.7883    1.1819 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