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
   -1.7968    2.1990    0.5884 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1716    1.0619    0.1853 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5451    0.6006    0.0165 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4885   -0.6466   -0.4236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1052   -1.0806   -0.5708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6810   -2.2129   -0.9687 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2757    0.0072   -0.1831 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1568    0.0438   -0.1639 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8833    1.1852   -0.3702 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2712    1.1612   -0.3402 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9709   -0.0134   -0.1014 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2255   -1.1471    0.1031 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8500   -1.1254    0.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3603   -0.0623   -0.0666 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4618    1.1591    0.2096 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3395   -1.2727   -0.6483 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3640    2.1222   -0.5600 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8674    2.0427   -0.4989 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7393   -2.0749    0.2908 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3132   -2.0305    0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8633    0.0836    0.7998 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