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
   -1.3817    2.3197    0.7967 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9700    1.2155    0.5594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3963    0.9404    0.5500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5436   -0.3223    0.2587 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2667   -0.9779    0.0549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0474   -2.1978   -0.2412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2678   -0.0045    0.2453 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1455   -0.1131    0.1630 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8778    0.9210   -0.4382 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2508    0.8275   -0.5261 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9271   -0.2607   -0.0362 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1999   -1.2694    0.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8344   -1.1885    0.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2894   -0.3671   -0.1160 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1475    1.7186    0.7617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5039   -0.8042    0.1827 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3059    1.7628   -0.8120 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8164    1.6179   -0.9858 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7034   -2.1577    0.9572 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2868   -1.9998    1.1147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8875    0.3396   -0.5350 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