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
   -1.9296   -1.6952    1.3642 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2348   -0.7081    0.6073 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5556   -0.2069    0.2826 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4263    0.8134   -0.5227 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0219    1.0583   -0.7871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5529    1.9872   -1.5410 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2774    0.0919   -0.0685 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1215   -0.0288   -0.0412 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7939   -1.0673   -0.6963 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1651   -1.2059   -0.6640 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9406   -0.2911    0.0407 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3035    0.7415    0.6947 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9232    0.8527    0.6425 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3089   -0.4926    0.0333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4835   -0.6437    0.6740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2774    1.3781   -0.9199 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1696   -1.7641   -1.2331 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6613   -2.0322   -1.1924 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9382    1.4377    1.2351 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4543    1.6904    1.1801 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9794    0.0846    0.5004 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