acetyloxy-[4-(dimethylamino)phenyl]mercury

C10H13HgNO2 — CID 16683026

IUPACacetyloxy-[4-(dimethylamino)phenyl]mercury
SMILESCC(=O)O[Hg]c1ccc(N(C)C)cc1
InChIInChI=1S/C8H10N.C2H4O2.Hg/c1-9(2)8-6-4-3-5-7-8;1-2(3)4;/h4-7H,1-2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyJUHSGDOCZQLSQX-UHFFFAOYSA-M
MW379.81 g/mol
LogP0.94
Rot. Bonds3

About acetyloxy-[4-(dimethylamino)phenyl]mercury

acetyloxy-[4-(dimethylamino)phenyl]mercury (PubChem CID 16683026) has the molecular formula C10H13HgNO2 and a molecular weight of 379.81 g/mol. Its IUPAC name is acetyloxy-[4-(dimethylamino)phenyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[4-(dimethylamino)phenyl]mercury
PubChem CID16683026
Molecular FormulaC10H13HgNO2
Molecular Weight379.81 g/mol
Exact Mass381.07
IUPAC Nameacetyloxy-[4-(dimethylamino)phenyl]mercury
SMILESCC(=O)O[Hg]c1ccc(N(C)C)cc1
InChIInChI=1S/C8H10N.C2H4O2.Hg/c1-9(2)8-6-4-3-5-7-8;1-2(3)4;/h4-7H,1-2H3;1H3,(H,3,4);/q;;+1/p-1
InChIKeyJUHSGDOCZQLSQX-UHFFFAOYSA-M
XLogP0.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.81
LogP ≤ 50.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of acetyloxy-[4-(dimethylamino)phenyl]mercury?
The IUPAC name of acetyloxy-[4-(dimethylamino)phenyl]mercury (CID 16683026) is acetyloxy-[4-(dimethylamino)phenyl]mercury.
What is the SMILES notation for acetyloxy-[4-(dimethylamino)phenyl]mercury?
The canonical SMILES for acetyloxy-[4-(dimethylamino)phenyl]mercury is CC(=O)O[Hg]c1ccc(N(C)C)cc1.
What is the InChIKey of acetyloxy-[4-(dimethylamino)phenyl]mercury?
The InChIKey is JUHSGDOCZQLSQX-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H10N.C2H4O2.Hg/c1-9(2)8-6-4-3-5-7-8;1-2(3)4;/h4-7H,1-2H3;1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-[4-(dimethylamino)phenyl]mercury?
acetyloxy-[4-(dimethylamino)phenyl]mercury has a molecular weight of 379.81 g/mol, XLogP of 0.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-[4-(dimethylamino)phenyl]mercury is sourced from PubChem (CID 16683026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).