chloro-[2-methoxy-3-(propanoylamino)propyl]mercury

C7H14ClHgNO2 — CID 3029296

IUPACchloro-[2-methoxy-3-(propanoylamino)propyl]mercury
SMILESCCC(=O)NCC(C[Hg]Cl)OC
InChIInChI=1S/C7H14NO2.ClH.Hg/c1-4-7(9)8-5-6(2)10-3;;/h6H,2,4-5H2,1,3H3,(H,8,9);1H;/q;;+1/p-1
InChIKeyWHJGMDVUAONKDR-UHFFFAOYSA-M
MW380.24 g/mol
LogP1.18
Rot. Bonds6

About chloro-[2-methoxy-3-(propanoylamino)propyl]mercury

chloro-[2-methoxy-3-(propanoylamino)propyl]mercury (PubChem CID 3029296) has the molecular formula C7H14ClHgNO2 and a molecular weight of 380.24 g/mol. Its IUPAC name is chloro-[2-methoxy-3-(propanoylamino)propyl]mercury.

Molecular Properties

Compound Namechloro-[2-methoxy-3-(propanoylamino)propyl]mercury
PubChem CID3029296
Molecular FormulaC7H14ClHgNO2
Molecular Weight380.24 g/mol
Exact Mass381.04
IUPAC Namechloro-[2-methoxy-3-(propanoylamino)propyl]mercury
SMILESCCC(=O)NCC(C[Hg]Cl)OC
InChIInChI=1S/C7H14NO2.ClH.Hg/c1-4-7(9)8-5-6(2)10-3;;/h6H,2,4-5H2,1,3H3,(H,8,9);1H;/q;;+1/p-1
InChIKeyWHJGMDVUAONKDR-UHFFFAOYSA-M
XLogP1.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.24
LogP ≤ 51.18
H-Bond Donors ≤ 51
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 chloro-[2-methoxy-3-(propanoylamino)propyl]mercury?
The IUPAC name of chloro-[2-methoxy-3-(propanoylamino)propyl]mercury (CID 3029296) is chloro-[2-methoxy-3-(propanoylamino)propyl]mercury.
What is the SMILES notation for chloro-[2-methoxy-3-(propanoylamino)propyl]mercury?
The canonical SMILES for chloro-[2-methoxy-3-(propanoylamino)propyl]mercury is CCC(=O)NCC(C[Hg]Cl)OC.
What is the InChIKey of chloro-[2-methoxy-3-(propanoylamino)propyl]mercury?
The InChIKey is WHJGMDVUAONKDR-UHFFFAOYSA-M. The full InChI is InChI=1S/C7H14NO2.ClH.Hg/c1-4-7(9)8-5-6(2)10-3;;/h6H,2,4-5H2,1,3H3,(H,8,9);1H;/q;;+1/p-1.
What are the key properties of chloro-[2-methoxy-3-(propanoylamino)propyl]mercury?
chloro-[2-methoxy-3-(propanoylamino)propyl]mercury has a molecular weight of 380.24 g/mol, XLogP of 1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[2-methoxy-3-(propanoylamino)propyl]mercury is sourced from PubChem (CID 3029296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).