chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury

C9H18ClHgNO2 — CID 3029292

IUPACchloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury
SMILESCOC(CNC(=O)C(C)(C)C)C[Hg]Cl
InChIInChI=1S/C9H18NO2.ClH.Hg/c1-7(12-5)6-10-8(11)9(2,3)4;;/h7H,1,6H2,2-5H3,(H,10,11);1H;/q;;+1/p-1
InChIKeyKSNRCSKJPMPYGV-UHFFFAOYSA-M
MW408.29 g/mol
LogP1.82
Rot. Bonds5

About chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury

chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury (PubChem CID 3029292) has the molecular formula C9H18ClHgNO2 and a molecular weight of 408.29 g/mol. Its IUPAC name is chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury.

Molecular Properties

Compound Namechloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury
PubChem CID3029292
Molecular FormulaC9H18ClHgNO2
Molecular Weight408.29 g/mol
Exact Mass409.07
IUPAC Namechloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury
SMILESCOC(CNC(=O)C(C)(C)C)C[Hg]Cl
InChIInChI=1S/C9H18NO2.ClH.Hg/c1-7(12-5)6-10-8(11)9(2,3)4;;/h7H,1,6H2,2-5H3,(H,10,11);1H;/q;;+1/p-1
InChIKeyKSNRCSKJPMPYGV-UHFFFAOYSA-M
XLogP1.82
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.29
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury?
The IUPAC name of chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury (CID 3029292) is chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury.
What is the SMILES notation for chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury?
The canonical SMILES for chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury is COC(CNC(=O)C(C)(C)C)C[Hg]Cl.
What is the InChIKey of chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury?
The InChIKey is KSNRCSKJPMPYGV-UHFFFAOYSA-M. The full InChI is InChI=1S/C9H18NO2.ClH.Hg/c1-7(12-5)6-10-8(11)9(2,3)4;;/h7H,1,6H2,2-5H3,(H,10,11);1H;/q;;+1/p-1.
What are the key properties of chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury?
chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury has a molecular weight of 408.29 g/mol, XLogP of 1.82, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[3-(2,2-dimethylpropanoylamino)-2-methoxypropyl]mercury is sourced from PubChem (CID 3029292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).