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
    1.6008   -2.2052   -1.2083 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0286   -1.1588   -0.6222 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4515   -0.8548   -0.4377 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5670    0.2958    0.2023 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2344    0.8022    0.4687 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9350    1.8713    1.0587 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2604   -0.1082   -0.0473 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1574   -0.0278   -0.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7987    0.2908    1.1700 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1806    0.3814    1.2511 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9691    0.1548    0.1441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3378   -0.1639   -1.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9554   -0.2521   -1.1132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3696    0.2445    0.2165 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2657   -1.4777   -0.7748 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5263    0.7663    0.4743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1840    0.4722    2.0503 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6867    0.6286    2.1721 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9810   -0.3377   -1.9002 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5162   -0.5050   -2.0650 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7332    1.1834    0.0151 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