2-(6-oxaspiro[4.6]undecan-10-yl)pyridine

C15H21NO — CID 166663519

IUPAC2-(6-oxaspiro[4.6]undecan-10-yl)pyridine
SMILESc1ccc(C2CCCOC3(CCCC3)C2)nc1
InChIInChI=1S/C15H21NO/c1-4-10-16-14(7-1)13-6-5-11-17-15(12-13)8-2-3-9-15/h1,4,7,10,13H,2-3,5-6,8-9,11-12H2
InChIKeyFQJBBEYKARJVCX-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.68
Rot. Bonds1

About 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine

2-(6-oxaspiro[4.6]undecan-10-yl)pyridine (PubChem CID 166663519) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine.

Molecular Properties

Compound Name2-(6-oxaspiro[4.6]undecan-10-yl)pyridine
PubChem CID166663519
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name2-(6-oxaspiro[4.6]undecan-10-yl)pyridine
SMILESc1ccc(C2CCCOC3(CCCC3)C2)nc1
InChIInChI=1S/C15H21NO/c1-4-10-16-14(7-1)13-6-5-11-17-15(12-13)8-2-3-9-15/h1,4,7,10,13H,2-3,5-6,8-9,11-12H2
InChIKeyFQJBBEYKARJVCX-UHFFFAOYSA-N
XLogP3.68
TPSA22.12 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.34
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine?
The IUPAC name of 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine (CID 166663519) is 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine.
What is the SMILES notation for 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine?
The canonical SMILES for 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine is c1ccc(C2CCCOC3(CCCC3)C2)nc1.
What is the InChIKey of 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine?
The InChIKey is FQJBBEYKARJVCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c1-4-10-16-14(7-1)13-6-5-11-17-15(12-13)8-2-3-9-15/h1,4,7,10,13H,2-3,5-6,8-9,11-12H2.
What are the key properties of 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine?
2-(6-oxaspiro[4.6]undecan-10-yl)pyridine has a molecular weight of 231.34 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-oxaspiro[4.6]undecan-10-yl)pyridine is sourced from PubChem (CID 166663519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).