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
   -2.2904   -1.7329   -0.2853 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3379   -0.4815   -0.1609 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5287    0.3513   -0.1493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2002    1.6078   -0.0011 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7481    1.6768    0.0958 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0407    2.7128    0.2452 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2132    0.3735   -0.0043 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1405   -0.0605    0.0335 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7272   -0.2936    1.2617 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0513   -0.7193    1.3436 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8165   -0.9204    0.2148 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2252   -0.6856   -1.0071 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8964   -0.2586   -1.0965 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1373   -1.3430    0.2462 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5295   -0.0525   -0.2518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8769    2.4603    0.0428 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1352   -0.1388    2.1539 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5123   -0.9030    2.3005 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8009   -0.8341   -1.9171 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4156   -0.0699   -2.0468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9072   -0.6890    0.2896 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