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
    1.4636    2.1524    1.1445 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9686    1.1945    0.5194 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3984    1.0076    0.3408 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6002   -0.1009   -0.3660 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2768   -0.6818   -0.6754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0409   -1.7301   -1.3256 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2613    0.1404   -0.1143 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1443   -0.0640   -0.1826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8205   -0.2535   -1.3698 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1860   -0.4487   -1.3856 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9444   -0.4655   -0.2305 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2767   -0.2767    0.9624 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9115   -0.0819    0.9737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3272   -0.6643   -0.2632 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1773    1.6565    0.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5429   -0.5060   -0.6612 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2132   -0.2395   -2.2754 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6917   -0.5948   -2.3273 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8870   -0.2930    1.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4257    0.0631    1.9322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9019    0.1862   -0.3458 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