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
   -1.6698   -1.6362    1.7681 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1042   -0.7733    0.9495 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4852   -0.3781    0.6986 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5444    0.5508   -0.2267 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1573    0.8219   -0.6450 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8413    1.6641   -1.5238 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2679   -0.0045    0.0907 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1626   -0.0254   -0.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8656   -1.1638    0.2762 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2628   -1.2054    0.1539 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9441   -0.0966   -0.2881 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2654    1.0556   -0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8705    1.0669   -0.4814 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3388   -0.1017   -0.4228 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3401   -0.8143    1.2261 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4199    1.0450   -0.6308 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3255   -2.0150    0.6187 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8188   -2.0890    0.3984 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7742    1.9508   -0.9675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3284    1.9613   -0.7310 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8733    0.1870    0.3922 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