(carbamoylamino)-phenylmercury

C7H8HgN2O — CID 16783

IUPAC(carbamoylamino)-phenylmercury
SMILESNC(=O)N[Hg]c1ccccc1
InChIInChI=1S/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);/q;;+1/p-1
InChIKeyUNQDVBLGFWIFGX-UHFFFAOYSA-M
MW336.74 g/mol
LogP-0.02
Rot. Bonds2

About (carbamoylamino)-phenylmercury

(carbamoylamino)-phenylmercury (PubChem CID 16783) has the molecular formula C7H8HgN2O and a molecular weight of 336.74 g/mol. Its IUPAC name is (carbamoylamino)-phenylmercury.

Molecular Properties

Compound Name(carbamoylamino)-phenylmercury
PubChem CID16783
Molecular FormulaC7H8HgN2O
Molecular Weight336.74 g/mol
Exact Mass338.03
IUPAC Name(carbamoylamino)-phenylmercury
SMILESNC(=O)N[Hg]c1ccccc1
InChIInChI=1S/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);/q;;+1/p-1
InChIKeyUNQDVBLGFWIFGX-UHFFFAOYSA-M
XLogP-0.02
TPSA55.12 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.74
LogP ≤ 5-0.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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 (carbamoylamino)-phenylmercury?
The IUPAC name of (carbamoylamino)-phenylmercury (CID 16783) is (carbamoylamino)-phenylmercury.
What is the SMILES notation for (carbamoylamino)-phenylmercury?
The canonical SMILES for (carbamoylamino)-phenylmercury is NC(=O)N[Hg]c1ccccc1.
What is the InChIKey of (carbamoylamino)-phenylmercury?
The InChIKey is UNQDVBLGFWIFGX-UHFFFAOYSA-M. The full InChI is InChI=1S/C6H5.CH4N2O.Hg/c1-2-4-6-5-3-1;2-1(3)4;/h1-5H;(H4,2,3,4);/q;;+1/p-1.
What are the key properties of (carbamoylamino)-phenylmercury?
(carbamoylamino)-phenylmercury has a molecular weight of 336.74 g/mol, XLogP of -0.02, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (carbamoylamino)-phenylmercury is sourced from PubChem (CID 16783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).