[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197

C5H11ClHgN2O2 — CID 11954348

IUPAC[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197
SMILESCOC(CNC(N)=O)C[197Hg]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/i;;1-4
InChIKeyBJFGVYCULWBXKF-WUYZZQIKSA-M
MW363.58 g/mol
LogP0.32
Rot. Bonds5

About [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197

[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197 (PubChem CID 11954348) has the molecular formula C5H11ClHgN2O2 and a molecular weight of 363.58 g/mol. Its IUPAC name is [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197.

Molecular Properties

Compound Name[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197
PubChem CID11954348
Molecular FormulaC5H11ClHgN2O2
Molecular Weight363.58 g/mol
Exact Mass363.02
IUPAC Name[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197
SMILESCOC(CNC(N)=O)C[197Hg]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/i;;1-4
InChIKeyBJFGVYCULWBXKF-WUYZZQIKSA-M
XLogP0.32
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.58
LogP ≤ 50.32
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
[3-(Carbamoylamino)-2-methoxypropyl]mercury(1+) chloride
CID 6110
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

Frequently Asked Questions

What is the IUPAC name of [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197?
The IUPAC name of [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197 (CID 11954348) is [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197.
What is the SMILES notation for [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197?
The canonical SMILES for [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197 is COC(CNC(N)=O)C[197Hg]Cl.
What is the InChIKey of [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197?
The InChIKey is BJFGVYCULWBXKF-WUYZZQIKSA-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/i;;1-4.
What are the key properties of [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197?
[3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197 has a molecular weight of 363.58 g/mol, XLogP of 0.32, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(carbamoylamino)-2-methoxypropyl]-chloro(197Hg)mercury-197 is sourced from PubChem (CID 11954348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).