sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane

C8H17NNa+ — CID 173414376

IUPACsodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane
SMILESC[N+]12CCC(CC1)CC2.[H-].[Na+]
InChIInChI=1S/C8H16N.Na.H/c1-9-5-2-8(3-6-9)4-7-9;;/h8H,2-7H2,1H3;;/q2*+1;-1
InChIKeyXIFTZHVYVNDYDB-UHFFFAOYSA-N
MW150.22 g/mol
LogP-1.64
Rot. Bonds

About sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane

sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane (PubChem CID 173414376) has the molecular formula C8H17NNa+ and a molecular weight of 150.22 g/mol. Its IUPAC name is sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane.

Molecular Properties

Compound Namesodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane
PubChem CID173414376
Molecular FormulaC8H17NNa+
Molecular Weight150.22 g/mol
Exact Mass150.13
IUPAC Namesodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane
SMILESC[N+]12CCC(CC1)CC2.[H-].[Na+]
InChIInChI=1S/C8H16N.Na.H/c1-9-5-2-8(3-6-9)4-7-9;;/h8H,2-7H2,1H3;;/q2*+1;-1
InChIKeyXIFTZHVYVNDYDB-UHFFFAOYSA-N
XLogP-1.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 5-1.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane?
The IUPAC name of sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane (CID 173414376) is sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane.
What is the SMILES notation for sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane?
The canonical SMILES for sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane is C[N+]12CCC(CC1)CC2.[H-].[Na+].
What is the InChIKey of sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane?
The InChIKey is XIFTZHVYVNDYDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N.Na.H/c1-9-5-2-8(3-6-9)4-7-9;;/h8H,2-7H2,1H3;;/q2*+1;-1.
What are the key properties of sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane?
sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane has a molecular weight of 150.22 g/mol, XLogP of -1.64, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for sodium;hydride;1-methyl-1-azoniabicyclo[2.2.2]octane is sourced from PubChem (CID 173414376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).