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
    2.0806   -2.0976   -0.6089 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2720   -0.8670   -0.3473 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861   -0.2355   -0.2398 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4003    1.0235    0.0365 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9638    1.3231    0.1326 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5009    2.4716    0.3901 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2697    0.1124   -0.1136 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1601   -0.0642   -0.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7103   -1.2476   -0.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1014   -1.3875   -0.5633 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9563   -0.3811   -0.1794 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3563    0.7830    0.2269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9697    0.9565    0.2558 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3300   -0.5736   -0.2179 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5502   -0.7572   -0.3746 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175    1.7469    0.1794 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1098   -2.1132   -0.8736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5269   -2.3373   -0.8961 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9979    1.6001    0.5358 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6272    1.9327    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9952    0.1121    0.0415 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