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
    1.9640    1.6260    1.3676 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2060    0.6338    0.6218 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5317    0.0923    0.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195   -0.9468   -0.4879 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9900   -1.1395   -0.7701 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4930   -2.0198   -1.4977 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2429   -0.1509   -0.0748 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1650    0.0301   -0.0698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9387   -0.9152    0.6074 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3067   -0.7691    0.6375 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9672    0.2872    0.0199 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1693    1.2182   -0.6512 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7961    1.0902   -0.6933 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3562    0.4221    0.0601 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4743    0.4844    0.7177 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2439   -1.5350   -0.8645 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4424   -1.7415    1.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9056   -1.4931    1.1546 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6311    2.0647   -1.1535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1540    1.7955   -1.2011 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7328    0.9665    0.8535 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