2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine

C14H17NO — CID 6456067

IUPAC2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine
SMILESCC1=CCC2COC(c3ccccn3)C1C2
InChIInChI=1S/C14H17NO/c1-10-5-6-11-8-12(10)14(16-9-11)13-4-2-3-7-15-13/h2-5,7,11-12,14H,6,8-9H2,1H3
InChIKeyXYCSKZKGWCWMMW-UHFFFAOYSA-N
MW215.30 g/mol
LogP3.13
Rot. Bonds1

About 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine

2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine (PubChem CID 6456067) has the molecular formula C14H17NO and a molecular weight of 215.30 g/mol. Its IUPAC name is 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine.

Molecular Properties

Compound Name2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine
PubChem CID6456067
Molecular FormulaC14H17NO
Molecular Weight215.30 g/mol
Exact Mass215.13
IUPAC Name2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine
SMILESCC1=CCC2COC(c3ccccn3)C1C2
InChIInChI=1S/C14H17NO/c1-10-5-6-11-8-12(10)14(16-9-11)13-4-2-3-7-15-13/h2-5,7,11-12,14H,6,8-9H2,1H3
InChIKeyXYCSKZKGWCWMMW-UHFFFAOYSA-N
XLogP3.13
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine?
The IUPAC name of 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine (CID 6456067) is 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine.
What is the SMILES notation for 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine?
The canonical SMILES for 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine is CC1=CCC2COC(c3ccccn3)C1C2.
What is the InChIKey of 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine?
The InChIKey is XYCSKZKGWCWMMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO/c1-10-5-6-11-8-12(10)14(16-9-11)13-4-2-3-7-15-13/h2-5,7,11-12,14H,6,8-9H2,1H3.
What are the key properties of 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine?
2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine has a molecular weight of 215.30 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(8-methyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine is sourced from PubChem (CID 6456067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).