acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury

C10H14HgN2O6 — CID 146037497

IUPACacetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury
SMILESCOC(C[Hg]OC(C)=O)CN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C8H11N2O4.C2H4O2.Hg/c1-5(14-2)4-10-7(12)3-6(11)9-8(10)13;1-2(3)4;/h5H,1,3-4H2,2H3,(H,9,11,13);1H3,(H,3,4);/q;;+1/p-1
InChIKeyRJKBQVPHCBBRMG-UHFFFAOYSA-M
MW458.82 g/mol
LogP-0.55
Rot. Bonds6

About acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury

acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury (PubChem CID 146037497) has the molecular formula C10H14HgN2O6 and a molecular weight of 458.82 g/mol. Its IUPAC name is acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury.

Molecular Properties

Compound Nameacetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury
PubChem CID146037497
Molecular FormulaC10H14HgN2O6
Molecular Weight458.82 g/mol
Exact Mass460.06
IUPAC Nameacetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury
SMILESCOC(C[Hg]OC(C)=O)CN1C(=O)CC(=O)NC1=O
InChIInChI=1S/C8H11N2O4.C2H4O2.Hg/c1-5(14-2)4-10-7(12)3-6(11)9-8(10)13;1-2(3)4;/h5H,1,3-4H2,2H3,(H,9,11,13);1H3,(H,3,4);/q;;+1/p-1
InChIKeyRJKBQVPHCBBRMG-UHFFFAOYSA-M
XLogP-0.55
TPSA102.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.82
LogP ≤ 5-0.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Analyze acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury?
The IUPAC name of acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury (CID 146037497) is acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury.
What is the SMILES notation for acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury?
The canonical SMILES for acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury is COC(C[Hg]OC(C)=O)CN1C(=O)CC(=O)NC1=O.
What is the InChIKey of acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury?
The InChIKey is RJKBQVPHCBBRMG-UHFFFAOYSA-M. The full InChI is InChI=1S/C8H11N2O4.C2H4O2.Hg/c1-5(14-2)4-10-7(12)3-6(11)9-8(10)13;1-2(3)4;/h5H,1,3-4H2,2H3,(H,9,11,13);1H3,(H,3,4);/q;;+1/p-1.
What are the key properties of acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury?
acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury has a molecular weight of 458.82 g/mol, XLogP of -0.55, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for acetyloxy-[2-methoxy-3-(2,4,6-trioxo-1,3-diazinan-1-yl)propyl]mercury is sourced from PubChem (CID 146037497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).