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
    1.6262   -1.2848    1.9114 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1038   -0.7631    0.8580 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4950   -0.7241    0.4357 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5209   -0.0863   -0.7094 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1713    0.3333   -1.1172 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8317    0.9657   -2.1619 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2675   -0.1024   -0.1104 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1552    0.0586   -0.0278 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7514    0.4585    1.1621 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1165    0.6317    1.2813 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9498    0.4112    0.2081 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3692    0.0152   -0.9773 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9892   -0.1616   -1.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3306    0.5893    0.3332 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3563   -1.1356    0.9489 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4308    0.1016   -1.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0790    0.6291    1.9976 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5744    0.9450    2.2108 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0511   -0.1508   -1.8101 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5806   -0.4790   -2.0657 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8566   -0.2516    0.6301 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