bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide

C8H8BrN4O6Rb — CID 139202074

IUPACbis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide
SMILESO=C1CC(=O)NC(=O)N1.O=C1CC(=O)NC(=O)N1.[Br-].[Rb+]
InChIInChI=1S/2C4H4N2O3.BrH.Rb/c2*7-2-1-3(8)6-4(9)5-2;;/h2*1H2,(H2,5,6,7,8,9);1H;/q;;;+1/p-1
InChIKeyKHWVSIBATBRSFL-UHFFFAOYSA-M
MW421.55 g/mol
LogP-8.51
Rot. Bonds

About bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide

bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide (PubChem CID 139202074) has the molecular formula C8H8BrN4O6Rb and a molecular weight of 421.55 g/mol. Its IUPAC name is bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide.

Molecular Properties

Compound Namebis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide
PubChem CID139202074
Molecular FormulaC8H8BrN4O6Rb
Molecular Weight421.55 g/mol
Exact Mass419.87
IUPAC Namebis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide
SMILESO=C1CC(=O)NC(=O)N1.O=C1CC(=O)NC(=O)N1.[Br-].[Rb+]
InChIInChI=1S/2C4H4N2O3.BrH.Rb/c2*7-2-1-3(8)6-4(9)5-2;;/h2*1H2,(H2,5,6,7,8,9);1H;/q;;;+1/p-1
InChIKeyKHWVSIBATBRSFL-UHFFFAOYSA-M
XLogP-8.51
TPSA150.54 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.55
LogP ≤ 5-8.51
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide?
The IUPAC name of bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide (CID 139202074) is bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide.
What is the SMILES notation for bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide?
The canonical SMILES for bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide is O=C1CC(=O)NC(=O)N1.O=C1CC(=O)NC(=O)N1.[Br-].[Rb+].
What is the InChIKey of bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide?
The InChIKey is KHWVSIBATBRSFL-UHFFFAOYSA-M. The full InChI is InChI=1S/2C4H4N2O3.BrH.Rb/c2*7-2-1-3(8)6-4(9)5-2;;/h2*1H2,(H2,5,6,7,8,9);1H;/q;;;+1/p-1.
What are the key properties of bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide?
bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide has a molecular weight of 421.55 g/mol, XLogP of -8.51, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1,3-diazinane-2,4,6-trione);rubidium(1+);bromide is sourced from PubChem (CID 139202074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).