7-oxaspiro[3.5]nonan-2-ylazanium

C8H16NO+ — CID 172615454

IUPAC7-oxaspiro[3.5]nonan-2-ylazanium
SMILES[NH3+]C1CC2(CCOCC2)C1
InChIInChI=1S/C8H15NO/c9-7-5-8(6-7)1-3-10-4-2-8/h7H,1-6,9H2/p+1
InChIKeyZDTIUHUGDCJDRO-UHFFFAOYSA-O
MW142.22 g/mol
LogP0.19
Rot. Bonds

About 7-oxaspiro[3.5]nonan-2-ylazanium

7-oxaspiro[3.5]nonan-2-ylazanium (PubChem CID 172615454) has the molecular formula C8H16NO+ and a molecular weight of 142.22 g/mol. Its IUPAC name is 7-oxaspiro[3.5]nonan-2-ylazanium.

Molecular Properties

Compound Name7-oxaspiro[3.5]nonan-2-ylazanium
PubChem CID172615454
Molecular FormulaC8H16NO+
Molecular Weight142.22 g/mol
Exact Mass142.12
IUPAC Name7-oxaspiro[3.5]nonan-2-ylazanium
SMILES[NH3+]C1CC2(CCOCC2)C1
InChIInChI=1S/C8H15NO/c9-7-5-8(6-7)1-3-10-4-2-8/h7H,1-6,9H2/p+1
InChIKeyZDTIUHUGDCJDRO-UHFFFAOYSA-O
XLogP0.19
TPSA36.87 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500142.22
LogP ≤ 50.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-oxaspiro[3.5]nonan-2-ylazanium?
The IUPAC name of 7-oxaspiro[3.5]nonan-2-ylazanium (CID 172615454) is 7-oxaspiro[3.5]nonan-2-ylazanium.
What is the SMILES notation for 7-oxaspiro[3.5]nonan-2-ylazanium?
The canonical SMILES for 7-oxaspiro[3.5]nonan-2-ylazanium is [NH3+]C1CC2(CCOCC2)C1.
What is the InChIKey of 7-oxaspiro[3.5]nonan-2-ylazanium?
The InChIKey is ZDTIUHUGDCJDRO-UHFFFAOYSA-O. The full InChI is InChI=1S/C8H15NO/c9-7-5-8(6-7)1-3-10-4-2-8/h7H,1-6,9H2/p+1.
What are the key properties of 7-oxaspiro[3.5]nonan-2-ylazanium?
7-oxaspiro[3.5]nonan-2-ylazanium has a molecular weight of 142.22 g/mol, XLogP of 0.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxaspiro[3.5]nonan-2-ylazanium is sourced from PubChem (CID 172615454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).