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
   -1.8278    1.3214   -1.7956 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1592    0.5489   -0.8441 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5284    0.1311   -0.4742 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4558   -0.6757    0.5729 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0672   -0.8609    0.9815 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6303   -1.5683    1.9460 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2776   -0.0813    0.0756 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1516    0.0287    0.1165 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9392   -0.1380   -0.9980 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3235   -0.0470   -0.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9051    0.2260    0.2224 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1463    0.3940    1.3398 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7735    0.3012    1.3137 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2824    0.3380    0.3437 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4167    0.4560   -1.0020 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3163   -1.1332    1.0546 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4494   -0.3504   -1.9460 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9418   -0.1737   -1.8484 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6406    0.6084    2.2927 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1771    0.4367    2.2355 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9486    0.2379   -0.3780 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