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
    1.4773    0.6548   -2.4080 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.9910    0.3499   -1.3022 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4195    0.2778   -1.0350 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5755   -0.0719    0.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2577   -0.2455    0.8542 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0572   -0.5780    2.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2566    0.0242   -0.1260 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1579   -0.0305    0.0671 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9703   -0.4579   -0.9696 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3469   -0.5325   -0.8402 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9590   -0.1783    0.3426 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1588    0.2487    1.3817 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7690    0.3248    1.2524 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3503   -0.2429    0.5051 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2166    0.4804   -1.7664 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5551   -0.1935    0.6737 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4739   -0.7334   -1.8934 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9435   -0.8722   -1.6757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6625    0.5203    2.3052 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1600    0.6652    2.0838 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8545    0.5906    0.2612 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