3-pyridin-2-ylcyclodecan-1-one

C15H21NO — CID 175713281

IUPAC3-pyridin-2-ylcyclodecan-1-one
SMILESO=C1CCCCCCCC(c2ccccn2)C1
InChIInChI=1S/C15H21NO/c17-14-9-5-3-1-2-4-8-13(12-14)15-10-6-7-11-16-15/h6-7,10-11,13H,1-5,8-9,12H2
InChIKeyXTHXSXCXEHQSAU-UHFFFAOYSA-N
MW231.34 g/mol
LogP3.87
Rot. Bonds1

About 3-pyridin-2-ylcyclodecan-1-one

3-pyridin-2-ylcyclodecan-1-one (PubChem CID 175713281) has the molecular formula C15H21NO and a molecular weight of 231.34 g/mol. Its IUPAC name is 3-pyridin-2-ylcyclodecan-1-one.

Molecular Properties

Compound Name3-pyridin-2-ylcyclodecan-1-one
PubChem CID175713281
Molecular FormulaC15H21NO
Molecular Weight231.34 g/mol
Exact Mass231.16
IUPAC Name3-pyridin-2-ylcyclodecan-1-one
SMILESO=C1CCCCCCCC(c2ccccn2)C1
InChIInChI=1S/C15H21NO/c17-14-9-5-3-1-2-4-8-13(12-14)15-10-6-7-11-16-15/h6-7,10-11,13H,1-5,8-9,12H2
InChIKeyXTHXSXCXEHQSAU-UHFFFAOYSA-N
XLogP3.87
TPSA29.96 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 ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-ylcyclodecan-1-one?
The IUPAC name of 3-pyridin-2-ylcyclodecan-1-one (CID 175713281) is 3-pyridin-2-ylcyclodecan-1-one.
What is the SMILES notation for 3-pyridin-2-ylcyclodecan-1-one?
The canonical SMILES for 3-pyridin-2-ylcyclodecan-1-one is O=C1CCCCCCCC(c2ccccn2)C1.
What is the InChIKey of 3-pyridin-2-ylcyclodecan-1-one?
The InChIKey is XTHXSXCXEHQSAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21NO/c17-14-9-5-3-1-2-4-8-13(12-14)15-10-6-7-11-16-15/h6-7,10-11,13H,1-5,8-9,12H2.
What are the key properties of 3-pyridin-2-ylcyclodecan-1-one?
3-pyridin-2-ylcyclodecan-1-one has a molecular weight of 231.34 g/mol, XLogP of 3.87, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-ylcyclodecan-1-one is sourced from PubChem (CID 175713281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).