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
    1.9550    0.2688    2.2403 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.2380    0.0816    1.0081 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5679   -0.0438    0.4310 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4378   -0.2282   -0.8652 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0220   -0.2369   -1.2333 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5371   -0.3890   -2.3820 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2625   -0.0383   -0.0284 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1538    0.0161    0.0708 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9125   -1.0369   -0.4024 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2882   -1.0301   -0.3277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9579    0.0225    0.2198 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2168    1.0870    0.7002 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8373    1.0778    0.6241 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3378    0.1091    0.3323 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4852    0.0068    0.9779 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2905   -0.3545   -1.5488 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3699   -1.8725   -0.8369 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8783   -1.8536   -0.6970 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7055    1.9522    1.1486 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2682    1.9262    1.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8698    0.5356   -0.4406 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