[2-(4-aminophenyl)acetyl]oxymercury

C8H8HgNO2 — CID 140524085

IUPAC[2-(4-aminophenyl)acetyl]oxymercury
SMILESNc1ccc(CC(=O)O[Hg])cc1
InChIInChI=1S/C8H9NO2.Hg/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5,9H2,(H,10,11);/q;+1/p-1
InChIKeyMMGQBQAKOXSVRY-UHFFFAOYSA-M
MW350.75 g/mol
LogP0.82
Rot. Bonds2

About [2-(4-aminophenyl)acetyl]oxymercury

[2-(4-aminophenyl)acetyl]oxymercury (PubChem CID 140524085) has the molecular formula C8H8HgNO2 and a molecular weight of 350.75 g/mol. Its IUPAC name is [2-(4-aminophenyl)acetyl]oxymercury.

Molecular Properties

Compound Name[2-(4-aminophenyl)acetyl]oxymercury
PubChem CID140524085
Molecular FormulaC8H8HgNO2
Molecular Weight350.75 g/mol
Exact Mass352.03
IUPAC Name[2-(4-aminophenyl)acetyl]oxymercury
SMILESNc1ccc(CC(=O)O[Hg])cc1
InChIInChI=1S/C8H9NO2.Hg/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5,9H2,(H,10,11);/q;+1/p-1
InChIKeyMMGQBQAKOXSVRY-UHFFFAOYSA-M
XLogP0.82
TPSA52.32 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.75
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

Actarit
CID 2018
4-Aminophenylacetic acid
CID 14533
4-Aminophenylalanine
CID 151001
p-Amino-DL-phenylalanine hydrate
CID 95174
3-(4-Aminophenyl)propionic acid
CID 75451
4-Aminohydratropic acid
CID 43026
4-(4-Aminophenyl)butanoic acid
CID 27049
2-(4-Aminophenyl)butanoic acid
CID 34655
GED-0507-34-Levo
CID 67008033
p-Aminophenylacetic acid ethyl ester
CID 225219
3-(3-Aminophenyl)propionic acid
CID 2735406
7-[4-[(4-Aminophenyl)methyl]phenyl]heptanoic acid
CID 10244965

Frequently Asked Questions

What is the IUPAC name of [2-(4-aminophenyl)acetyl]oxymercury?
The IUPAC name of [2-(4-aminophenyl)acetyl]oxymercury (CID 140524085) is [2-(4-aminophenyl)acetyl]oxymercury.
What is the SMILES notation for [2-(4-aminophenyl)acetyl]oxymercury?
The canonical SMILES for [2-(4-aminophenyl)acetyl]oxymercury is Nc1ccc(CC(=O)O[Hg])cc1.
What is the InChIKey of [2-(4-aminophenyl)acetyl]oxymercury?
The InChIKey is MMGQBQAKOXSVRY-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H9NO2.Hg/c9-7-3-1-6(2-4-7)5-8(10)11;/h1-4H,5,9H2,(H,10,11);/q;+1/p-1.
What are the key properties of [2-(4-aminophenyl)acetyl]oxymercury?
[2-(4-aminophenyl)acetyl]oxymercury has a molecular weight of 350.75 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-aminophenyl)acetyl]oxymercury is sourced from PubChem (CID 140524085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).