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
    1.5461    2.4272    0.6312 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0209    1.2990    0.2577 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4302    0.9845    0.0414 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5751   -0.2737   -0.3431 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2515   -0.8794   -0.4061 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9809   -2.0610   -0.7324 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2864    0.1026   -0.0320 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1252   -0.0549    0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9043    0.7854    0.8195 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2740    0.6235    0.8705 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9516   -0.3538    0.1767 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1729   -1.1880   -0.5962 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8080   -1.0417   -0.6593 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3407   -0.4854    0.2549 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2182    1.7181    0.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5043   -0.7931   -0.5766 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4400    1.5803    1.4033 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9041    1.2870    1.4865 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7047   -1.9647   -1.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2331   -1.7205   -1.2843 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9550    0.0086   -0.3953 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