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
    1.5601    2.1513   -0.8218 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0459    1.0367   -0.5100 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4557    0.6581   -0.4985 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5283   -0.5945   -0.1125 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2055   -1.1427    0.1593 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8926   -2.2927    0.5425 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2852   -0.1084   -0.0943 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1411   -0.0955    0.0097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9743   -0.3866   -1.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3549   -0.3680   -0.9262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9506   -0.0525    0.2774 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1168    0.2388    1.3364 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7363    0.2197    1.2122 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3387   -0.0250    0.4325 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2428    1.3640   -0.7788 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671   -1.1271   -0.0173 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5108   -0.6359   -1.9991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0036   -0.6009   -1.7739 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5866    0.4859    2.2792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0780    0.4531    2.0615 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8914    0.8224    0.2698 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