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
    1.7008   -2.2641   -0.6116 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0699   -1.1161   -0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4573   -0.7241   -0.0588 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4821    0.5488    0.2974 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1120    1.0866    0.3518 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7485    2.2544    0.6511 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2523    0.0176   -0.0061 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1561    0.0279   -0.1033 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7348    0.2534   -1.3302 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1072    0.2661   -1.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9004    0.0554   -0.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3146   -0.1714    0.8982 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9427   -0.1838    1.0058 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2812    0.0790   -0.5008 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3258   -1.3736   -0.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3626    1.1385    0.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1307    0.4218   -2.2144 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5222    0.4492   -2.4228 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9870   -0.3312    1.7410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5096   -0.3667    1.9982 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9245   -0.0678    0.2633 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