(3-acetamido-2-methoxypropyl)-chloromercury

C6H12ClHgNO2 — CID 3029229

IUPAC(3-acetamido-2-methoxypropyl)-chloromercury
SMILESCOC(CNC(C)=O)C[Hg]Cl
InChIInChI=1S/C6H12NO2.ClH.Hg/c1-5(9-3)4-7-6(2)8;;/h5H,1,4H2,2-3H3,(H,7,8);1H;/q;;+1/p-1
InChIKeyXUBIGZFRXOIKDM-UHFFFAOYSA-M
MW366.21 g/mol
LogP0.79
Rot. Bonds5

About (3-acetamido-2-methoxypropyl)-chloromercury

(3-acetamido-2-methoxypropyl)-chloromercury (PubChem CID 3029229) has the molecular formula C6H12ClHgNO2 and a molecular weight of 366.21 g/mol. Its IUPAC name is (3-acetamido-2-methoxypropyl)-chloromercury.

Molecular Properties

Compound Name(3-acetamido-2-methoxypropyl)-chloromercury
PubChem CID3029229
Molecular FormulaC6H12ClHgNO2
Molecular Weight366.21 g/mol
Exact Mass367.03
IUPAC Name(3-acetamido-2-methoxypropyl)-chloromercury
SMILESCOC(CNC(C)=O)C[Hg]Cl
InChIInChI=1S/C6H12NO2.ClH.Hg/c1-5(9-3)4-7-6(2)8;;/h5H,1,4H2,2-3H3,(H,7,8);1H;/q;;+1/p-1
InChIKeyXUBIGZFRXOIKDM-UHFFFAOYSA-M
XLogP0.79
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.21
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Chlormerodrin
CID 25210
[3-(Carbamoylamino)-2-methoxypropyl]mercury(1+) chloride
CID 6110
N-(2-methoxyethyl)acetamide
CID 21525
Chlormerodrin Hg-197
CID 91667977
Chlormerodrin Hg-203
CID 193986
1-Acetamidopropan-2-yl acetate
CID 298868
3-Amino-N-(2-methoxyethyl)propanamide hydrochloride
CID 56832081
[(2S)-1-acetamidopropan-2-yl] acetate
CID 14598671
(R)-N-(Oxiran-2-ylmethyl)acetamide
CID 44224737
(3-Butyramido-2-methoxypropyl)chloromercury
CID 3029284
Chloro(3-(2,2-dimethylpropionamido)-2-methoxypropyl)mercury
CID 3029292
Chloro(2-methoxy-3-propionamidopropyl)mercury
CID 3029296

Frequently Asked Questions

What is the IUPAC name of (3-acetamido-2-methoxypropyl)-chloromercury?
The IUPAC name of (3-acetamido-2-methoxypropyl)-chloromercury (CID 3029229) is (3-acetamido-2-methoxypropyl)-chloromercury.
What is the SMILES notation for (3-acetamido-2-methoxypropyl)-chloromercury?
The canonical SMILES for (3-acetamido-2-methoxypropyl)-chloromercury is COC(CNC(C)=O)C[Hg]Cl.
What is the InChIKey of (3-acetamido-2-methoxypropyl)-chloromercury?
The InChIKey is XUBIGZFRXOIKDM-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H12NO2.ClH.Hg/c1-5(9-3)4-7-6(2)8;;/h5H,1,4H2,2-3H3,(H,7,8);1H;/q;;+1/p-1.
What are the key properties of (3-acetamido-2-methoxypropyl)-chloromercury?
(3-acetamido-2-methoxypropyl)-chloromercury has a molecular weight of 366.21 g/mol, XLogP of 0.79, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3-acetamido-2-methoxypropyl)-chloromercury is sourced from PubChem (CID 3029229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).