[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)

C5H11HgN2O2+ — CID 91667978

IUPAC[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
SMILESCOC(C[197Hg+])CNC(N)=O
InChIInChI=1S/C5H11N2O2.Hg/c1-4(9-2)3-7-5(6)8;/h4H,1,3H2,2H3,(H3,6,7,8);/q;+1/i;1-4
InChIKeyIJCITOQWOMWZIG-JWFOFJTQSA-N
MW328.12 g/mol
LogP-0.37
Rot. Bonds4

About [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)

[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+) (PubChem CID 91667978) has the molecular formula C5H11HgN2O2+ and a molecular weight of 328.12 g/mol. Its IUPAC name is [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+).

Molecular Properties

Compound Name[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
PubChem CID91667978
Molecular FormulaC5H11HgN2O2+
Molecular Weight328.12 g/mol
Exact Mass328.05
IUPAC Name[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)
SMILESCOC(C[197Hg+])CNC(N)=O
InChIInChI=1S/C5H11N2O2.Hg/c1-4(9-2)3-7-5(6)8;/h4H,1,3H2,2H3,(H3,6,7,8);/q;+1/i;1-4
InChIKeyIJCITOQWOMWZIG-JWFOFJTQSA-N
XLogP-0.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.12
LogP ≤ 5-0.37
H-Bond Donors ≤ 52
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 [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)?
The IUPAC name of [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+) (CID 91667978) is [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+).
What is the SMILES notation for [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)?
The canonical SMILES for [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+) is COC(C[197Hg+])CNC(N)=O.
What is the InChIKey of [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)?
The InChIKey is IJCITOQWOMWZIG-JWFOFJTQSA-N. The full InChI is InChI=1S/C5H11N2O2.Hg/c1-4(9-2)3-7-5(6)8;/h4H,1,3H2,2H3,(H3,6,7,8);/q;+1/i;1-4.
What are the key properties of [3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+)?
[3-(carbamoylamino)-2-methoxypropyl](197Hg)mercury-197(1+) has a molecular weight of 328.12 g/mol, XLogP of -0.37, 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](197Hg)mercury-197(1+) is sourced from PubChem (CID 91667978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).