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
    1.9331   -2.2178    0.0891 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1884   -1.0006   -0.0025 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5589   -0.4465   -0.0637 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4666    0.8677   -0.1567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0604    1.2462   -0.1620 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6022    2.4154   -0.2389 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2494    0.0637   -0.0645 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1661   -0.0355   -0.0356 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9121    0.6251    0.9456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2723    0.5207    0.9607 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9456   -0.2256    0.0269 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2276   -0.8833   -0.9473 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8721   -0.7829   -0.9673 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3323   -0.3097    0.0726 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4845   -1.0324   -0.0356 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3121    1.5281   -0.2175 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3646    1.2064    1.6701 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7907    1.0667    1.7603 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7973   -1.4705   -1.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3301   -1.3130   -1.7485 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8450    0.1777    0.7918 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