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
   -1.5060   -2.5261   -0.6641 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9440   -1.3598   -0.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3681   -1.0396   -0.4745 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5223    0.2444   -0.2185 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2263    0.8705   -0.0079 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9353    2.0779    0.2604 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2443   -0.1797   -0.1629 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1662   -0.0109   -0.0483 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0335   -0.5672   -0.9657 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3964   -0.3316   -0.8007 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9075    0.4286    0.2318 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0203    0.9668    1.1263 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6512    0.7528    0.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2545    0.6759    0.4077 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2061   -1.7125   -0.6714 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4518    0.8230   -0.1572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6684   -1.1743   -1.7949 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1190   -0.7463   -1.4952 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3944    1.5683    1.9493 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0363    1.1819    1.7114 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8291    0.0580    0.9631 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