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
   -2.1033   -2.0741   -0.3211 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2419   -0.8577   -0.0277 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5276   -0.1979    0.2204 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3382    1.0675    0.5013 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8976    1.3220    0.4549 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3203    2.4185    0.6685 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2331    0.1066    0.1234 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619   -0.0720   -0.0274 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7402   -1.2272    0.4491 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1053   -1.3970    0.3168 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8611   -0.4112   -0.2888 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3037    0.7390   -0.7666 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9474    0.9128   -0.6364 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2335   -0.5733   -0.4261 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4803   -0.7111    0.1725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0463    1.8559    0.7383 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1809   -2.0279    0.9270 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5598   -2.3095    0.6935 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8686    1.5331   -1.2437 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4106    1.7764   -0.9742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8154    0.1270   -0.8651 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