[3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride

C5H11ClHgN2O2 — CID 6110

IUPAC[3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride
SMILESCOC(C[Hg+])CNC(N)=O.[Cl-]
InChIInChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1
InChIKeyBJFGVYCULWBXKF-UHFFFAOYSA-M
MW367.20 g/mol
LogP-3.36
Rot. Bonds4

About [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride

[3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride (PubChem CID 6110) has the molecular formula C5H11ClHgN2O2 and a molecular weight of 367.20 g/mol. Its IUPAC name is [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride.

Molecular Properties

Compound Name[3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride
PubChem CID6110
Molecular FormulaC5H11ClHgN2O2
Molecular Weight367.20 g/mol
Exact Mass368.02
IUPAC Name[3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride
SMILESCOC(C[Hg+])CNC(N)=O.[Cl-]
InChIInChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1
InChIKeyBJFGVYCULWBXKF-UHFFFAOYSA-M
XLogP-3.36
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.20
LogP ≤ 5-3.36
H-Bond Donors ≤ 52
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
(2-Methoxyethyl)urea
CID 186068
CID 2716
CID 2716
Chlormerodrin Hg-197
CID 91667977
Chlormerodrin Hg-203
CID 193986
N-(2-Hydroxypropyl)urea
CID 11528340
N-(2-Methoxypropyl)urea
CID 3037764
Hydroxychlormerodrin
CID 193118
(3-Acetamido-2-methoxypropyl)chloromercury
CID 3029229
[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
CID 91667978
1-(2-Methoxypropyl)-3-(2,2,2-trifluoroethyl)urea
CID 102697408
Chlormerodrin mercury-203
CID 165411821

Frequently Asked Questions

What is the IUPAC name of [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride?
The IUPAC name of [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride (CID 6110) is [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride.
What is the SMILES notation for [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride?
The canonical SMILES for [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride is COC(C[Hg+])CNC(N)=O.[Cl-].
What is the InChIKey of [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride?
The InChIKey is BJFGVYCULWBXKF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H11N2O2.ClH.Hg/c1-4(9-2)3-7-5(6)8;;/h4H,1,3H2,2H3,(H3,6,7,8);1H;/q;;+1/p-1.
What are the key properties of [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride?
[3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride has a molecular weight of 367.20 g/mol, XLogP of -3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(carbamoylamino)-2-methoxypropyl]mercury(1+) chloride is sourced from PubChem (CID 6110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).