2-azoniabicyclo[2.1.1]hexane chloride

C5H10ClN — CID 169425582

IUPAC2-azoniabicyclo[2.1.1]hexane chloride
SMILESC1[NH2+]C2CC1C2.[Cl-]
InChIInChI=1S/C5H9N.ClH/c1-4-2-5(1)6-3-4;/h4-6H,1-3H2;1H
InChIKeyILHPSPUYHFANIX-UHFFFAOYSA-N
MW119.59 g/mol
LogP-3.65
Rot. Bonds

About 2-azoniabicyclo[2.1.1]hexane chloride

2-azoniabicyclo[2.1.1]hexane chloride (PubChem CID 169425582) has the molecular formula C5H10ClN and a molecular weight of 119.59 g/mol. Its IUPAC name is 2-azoniabicyclo[2.1.1]hexane chloride.

Molecular Properties

Compound Name2-azoniabicyclo[2.1.1]hexane chloride
PubChem CID169425582
Molecular FormulaC5H10ClN
Molecular Weight119.59 g/mol
Exact Mass119.05
IUPAC Name2-azoniabicyclo[2.1.1]hexane chloride
SMILESC1[NH2+]C2CC1C2.[Cl-]
InChIInChI=1S/C5H9N.ClH/c1-4-2-5(1)6-3-4;/h4-6H,1-3H2;1H
InChIKeyILHPSPUYHFANIX-UHFFFAOYSA-N
XLogP-3.65
TPSA16.61 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500119.59
LogP ≤ 5-3.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-azoniabicyclo[2.1.1]hexane chloride?
The IUPAC name of 2-azoniabicyclo[2.1.1]hexane chloride (CID 169425582) is 2-azoniabicyclo[2.1.1]hexane chloride.
What is the SMILES notation for 2-azoniabicyclo[2.1.1]hexane chloride?
The canonical SMILES for 2-azoniabicyclo[2.1.1]hexane chloride is C1[NH2+]C2CC1C2.[Cl-].
What is the InChIKey of 2-azoniabicyclo[2.1.1]hexane chloride?
The InChIKey is ILHPSPUYHFANIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N.ClH/c1-4-2-5(1)6-3-4;/h4-6H,1-3H2;1H.
What are the key properties of 2-azoniabicyclo[2.1.1]hexane chloride?
2-azoniabicyclo[2.1.1]hexane chloride has a molecular weight of 119.59 g/mol, XLogP of -3.65, 0 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-azoniabicyclo[2.1.1]hexane chloride is sourced from PubChem (CID 169425582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).