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
   -1.5744   -2.4936   -0.3500 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0485   -1.3383   -0.1101 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4596   -0.9662    0.0153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5266    0.3191    0.2653 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1944    0.8880    0.3236 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8672    2.0875    0.5411 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2690   -0.1657    0.0855 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1732   -0.0416    0.0476 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7729    0.9656   -0.6784 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1317    1.1446   -0.7700 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243    0.2409   -0.0811 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3621   -0.7845    0.6575 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9919   -0.9232    0.7200 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3012    0.4297   -0.1784 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3073   -1.6406   -0.0826 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4867    0.8445    0.4008 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1387    1.6587   -1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5899    1.9558   -1.3536 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0233   -1.4675    1.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5532   -1.7342    1.3010 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7713    1.0210    0.4913 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