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
    1.6306   -0.0188    2.4695 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0623    0.0873    1.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4802    0.2762    0.9034 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5156    0.3428   -0.4146 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1747    0.2064   -0.9651 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8408    0.2185   -2.1654 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2388    0.0433    0.1299 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1663   -0.1086   -0.0057 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0145    0.9348    0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3771    0.8817    0.2380 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9218   -0.3075   -0.2614 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0805   -1.3472   -0.6135 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7107   -1.2677   -0.4934 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2956   -0.3736   -0.3764 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3174    0.3452    1.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3952    0.4783   -1.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5179    1.8341    0.7264 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0161    1.7246    0.5288 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5743   -2.2429   -0.9978 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1173   -2.1209   -0.7925 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8633    0.4139   -0.1155 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