bis(diethylcarbamoyl)mercury

C10H20HgN2O2 — CID 12633853

IUPACbis(diethylcarbamoyl)mercury
SMILESCCN(CC)C(=O)[Hg]C(=O)N(CC)CC
InChIInChI=1S/2C5H10NO.Hg/c2*1-3-6(4-2)5-7;/h2*3-4H2,1-2H3;
InChIKeyBYYFHFCXECSRLI-UHFFFAOYSA-N
MW400.87 g/mol
LogP1.99
Rot. Bonds6

About bis(diethylcarbamoyl)mercury

bis(diethylcarbamoyl)mercury (PubChem CID 12633853) has the molecular formula C10H20HgN2O2 and a molecular weight of 400.87 g/mol. Its IUPAC name is bis(diethylcarbamoyl)mercury.

Molecular Properties

Compound Namebis(diethylcarbamoyl)mercury
PubChem CID12633853
Molecular FormulaC10H20HgN2O2
Molecular Weight400.87 g/mol
Exact Mass402.12
IUPAC Namebis(diethylcarbamoyl)mercury
SMILESCCN(CC)C(=O)[Hg]C(=O)N(CC)CC
InChIInChI=1S/2C5H10NO.Hg/c2*1-3-6(4-2)5-7;/h2*3-4H2,1-2H3;
InChIKeyBYYFHFCXECSRLI-UHFFFAOYSA-N
XLogP1.99
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.87
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 bis(diethylcarbamoyl)mercury?
The IUPAC name of bis(diethylcarbamoyl)mercury (CID 12633853) is bis(diethylcarbamoyl)mercury.
What is the SMILES notation for bis(diethylcarbamoyl)mercury?
The canonical SMILES for bis(diethylcarbamoyl)mercury is CCN(CC)C(=O)[Hg]C(=O)N(CC)CC.
What is the InChIKey of bis(diethylcarbamoyl)mercury?
The InChIKey is BYYFHFCXECSRLI-UHFFFAOYSA-N. The full InChI is InChI=1S/2C5H10NO.Hg/c2*1-3-6(4-2)5-7;/h2*3-4H2,1-2H3;.
What are the key properties of bis(diethylcarbamoyl)mercury?
bis(diethylcarbamoyl)mercury has a molecular weight of 400.87 g/mol, XLogP of 1.99, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(diethylcarbamoyl)mercury is sourced from PubChem (CID 12633853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).