3-(1-oxaspiro[2.5]octan-2-yl)pyridine

C12H15NO — CID 10726324

IUPAC3-(1-oxaspiro[2.5]octan-2-yl)pyridine
SMILESc1cncc(C2OC23CCCCC3)c1
InChIInChI=1S/C12H15NO/c1-2-6-12(7-3-1)11(14-12)10-5-4-8-13-9-10/h4-5,8-9,11H,1-3,6-7H2
InChIKeyZURGKQRQBQWVLH-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.86
Rot. Bonds1

About 3-(1-oxaspiro[2.5]octan-2-yl)pyridine

3-(1-oxaspiro[2.5]octan-2-yl)pyridine (PubChem CID 10726324) has the molecular formula C12H15NO and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(1-oxaspiro[2.5]octan-2-yl)pyridine.

Molecular Properties

Compound Name3-(1-oxaspiro[2.5]octan-2-yl)pyridine
PubChem CID10726324
Molecular FormulaC12H15NO
Molecular Weight189.26 g/mol
Exact Mass189.12
IUPAC Name3-(1-oxaspiro[2.5]octan-2-yl)pyridine
SMILESc1cncc(C2OC23CCCCC3)c1
InChIInChI=1S/C12H15NO/c1-2-6-12(7-3-1)11(14-12)10-5-4-8-13-9-10/h4-5,8-9,11H,1-3,6-7H2
InChIKeyZURGKQRQBQWVLH-UHFFFAOYSA-N
XLogP2.86
TPSA25.42 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-oxaspiro[2.5]octan-2-yl)pyridine?
The IUPAC name of 3-(1-oxaspiro[2.5]octan-2-yl)pyridine (CID 10726324) is 3-(1-oxaspiro[2.5]octan-2-yl)pyridine.
What is the SMILES notation for 3-(1-oxaspiro[2.5]octan-2-yl)pyridine?
The canonical SMILES for 3-(1-oxaspiro[2.5]octan-2-yl)pyridine is c1cncc(C2OC23CCCCC3)c1.
What is the InChIKey of 3-(1-oxaspiro[2.5]octan-2-yl)pyridine?
The InChIKey is ZURGKQRQBQWVLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO/c1-2-6-12(7-3-1)11(14-12)10-5-4-8-13-9-10/h4-5,8-9,11H,1-3,6-7H2.
What are the key properties of 3-(1-oxaspiro[2.5]octan-2-yl)pyridine?
3-(1-oxaspiro[2.5]octan-2-yl)pyridine has a molecular weight of 189.26 g/mol, XLogP of 2.86, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-oxaspiro[2.5]octan-2-yl)pyridine is sourced from PubChem (CID 10726324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).