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
   -1.7629   -2.1465   -0.9794 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1350   -1.0867   -0.4062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5049   -0.6387   -0.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4869    0.5264    0.4559 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1137    0.9413    0.7009 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6776    1.9871    1.2772 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2672   -0.0913    0.1487 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1511   -0.0824    0.1664 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8281    1.0233   -0.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2158    1.0815   -0.3079 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9321    0.0129    0.1548 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2857   -1.1144    0.6287 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8847   -1.1456    0.6275 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3274    0.0765    0.1418 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3705   -1.2126   -0.5063 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3686    1.0823    0.7465 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2861    1.9012   -0.6771 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7170    1.9600   -0.6767 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8798   -1.9513    0.9911 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3736   -2.0122    0.9926 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8058    0.8893   -0.1994 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