diacetyloxymercury;phenylmethanamine

C11H15HgNO4 — CID 86278675

IUPACdiacetyloxymercury;phenylmethanamine
SMILESCC(=O)O[Hg]OC(C)=O.NCc1ccccc1
InChIInChI=1S/C7H9N.2C2H4O2.Hg/c8-6-7-4-2-1-3-5-7;2*1-2(3)4;/h1-5H,6,8H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyGEEBHYHQWYGLRU-UHFFFAOYSA-L
MW425.83 g/mol
LogP1.17
Rot. Bonds3

About diacetyloxymercury;phenylmethanamine

diacetyloxymercury;phenylmethanamine (PubChem CID 86278675) has the molecular formula C11H15HgNO4 and a molecular weight of 425.83 g/mol. Its IUPAC name is diacetyloxymercury;phenylmethanamine.

Molecular Properties

Compound Namediacetyloxymercury;phenylmethanamine
PubChem CID86278675
Molecular FormulaC11H15HgNO4
Molecular Weight425.83 g/mol
Exact Mass427.07
IUPAC Namediacetyloxymercury;phenylmethanamine
SMILESCC(=O)O[Hg]OC(C)=O.NCc1ccccc1
InChIInChI=1S/C7H9N.2C2H4O2.Hg/c8-6-7-4-2-1-3-5-7;2*1-2(3)4;/h1-5H,6,8H2;2*1H3,(H,3,4);/q;;;+2/p-2
InChIKeyGEEBHYHQWYGLRU-UHFFFAOYSA-L
XLogP1.17
TPSA78.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.83
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 diacetyloxymercury;phenylmethanamine?
The IUPAC name of diacetyloxymercury;phenylmethanamine (CID 86278675) is diacetyloxymercury;phenylmethanamine.
What is the SMILES notation for diacetyloxymercury;phenylmethanamine?
The canonical SMILES for diacetyloxymercury;phenylmethanamine is CC(=O)O[Hg]OC(C)=O.NCc1ccccc1.
What is the InChIKey of diacetyloxymercury;phenylmethanamine?
The InChIKey is GEEBHYHQWYGLRU-UHFFFAOYSA-L. The full InChI is InChI=1S/C7H9N.2C2H4O2.Hg/c8-6-7-4-2-1-3-5-7;2*1-2(3)4;/h1-5H,6,8H2;2*1H3,(H,3,4);/q;;;+2/p-2.
What are the key properties of diacetyloxymercury;phenylmethanamine?
diacetyloxymercury;phenylmethanamine has a molecular weight of 425.83 g/mol, XLogP of 1.17, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diacetyloxymercury;phenylmethanamine is sourced from PubChem (CID 86278675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).