3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine

C16H21NO — CID 3110823

IUPAC3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine
SMILESCC1=CC(C)C2COC(c3cccnc3)C1C2C
InChIInChI=1S/C16H21NO/c1-10-7-11(2)15-12(3)14(10)9-18-16(15)13-5-4-6-17-8-13/h4-8,10,12,14-16H,9H2,1-3H3
InChIKeyDYAZCFMRGIURJU-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.62
Rot. Bonds1

About 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine

3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine (PubChem CID 3110823) has the molecular formula C16H21NO and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine.

Molecular Properties

Compound Name3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine
PubChem CID3110823
Molecular FormulaC16H21NO
Molecular Weight243.35 g/mol
Exact Mass243.16
IUPAC Name3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine
SMILESCC1=CC(C)C2COC(c3cccnc3)C1C2C
InChIInChI=1S/C16H21NO/c1-10-7-11(2)15-12(3)14(10)9-18-16(15)13-5-4-6-17-8-13/h4-8,10,12,14-16H,9H2,1-3H3
InChIKeyDYAZCFMRGIURJU-UHFFFAOYSA-N
XLogP3.62
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.62
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 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine?
The IUPAC name of 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine (CID 3110823) is 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine.
What is the SMILES notation for 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine?
The canonical SMILES for 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine is CC1=CC(C)C2COC(c3cccnc3)C1C2C.
What is the InChIKey of 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine?
The InChIKey is DYAZCFMRGIURJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21NO/c1-10-7-11(2)15-12(3)14(10)9-18-16(15)13-5-4-6-17-8-13/h4-8,10,12,14-16H,9H2,1-3H3.
What are the key properties of 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine?
3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine has a molecular weight of 243.35 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6,8,9-trimethyl-3-oxabicyclo[3.3.1]non-7-en-2-yl)pyridine is sourced from PubChem (CID 3110823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).