spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]

C9H15NO2 — CID 22339720

IUPACspiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
SMILESC1COC2(CC3CCC(C2)N3)O1
InChIInChI=1S/C9H15NO2/c1-2-8-6-9(5-7(1)10-8)11-3-4-12-9/h7-8,10H,1-6H2
InChIKeyAGYAUTGGRPUPMR-UHFFFAOYSA-N
MW169.22 g/mol
LogP0.64
Rot. Bonds

About spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]

spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] (PubChem CID 22339720) has the molecular formula C9H15NO2 and a molecular weight of 169.22 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane].

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
PubChem CID22339720
Molecular FormulaC9H15NO2
Molecular Weight169.22 g/mol
Exact Mass169.11
IUPAC Namespiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]
SMILESC1COC2(CC3CCC(C2)N3)O1
InChIInChI=1S/C9H15NO2/c1-2-8-6-9(5-7(1)10-8)11-3-4-12-9/h7-8,10H,1-6H2
InChIKeyAGYAUTGGRPUPMR-UHFFFAOYSA-N
XLogP0.64
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.22
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]?
The IUPAC name of spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] (CID 22339720) is spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane].
What is the SMILES notation for spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]?
The canonical SMILES for spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] is C1COC2(CC3CCC(C2)N3)O1.
What is the InChIKey of spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]?
The InChIKey is AGYAUTGGRPUPMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO2/c1-2-8-6-9(5-7(1)10-8)11-3-4-12-9/h7-8,10H,1-6H2.
What are the key properties of spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane]?
spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] has a molecular weight of 169.22 g/mol, XLogP of 0.64, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,3'-8-azabicyclo[3.2.1]octane] is sourced from PubChem (CID 22339720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).