4-pyridin-2-ylcyclohexan-1-one

C11H13NO — CID 21187660

IUPAC4-pyridin-2-ylcyclohexan-1-one
SMILESO=C1CCC(c2ccccn2)CC1
InChIInChI=1S/C11H13NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-3,8-9H,4-7H2
InChIKeyBHIIMPOVZNJDSZ-UHFFFAOYSA-N
MW175.23 g/mol
LogP2.31
Rot. Bonds1

About 4-pyridin-2-ylcyclohexan-1-one

4-pyridin-2-ylcyclohexan-1-one (PubChem CID 21187660) has the molecular formula C11H13NO and a molecular weight of 175.23 g/mol. Its IUPAC name is 4-pyridin-2-ylcyclohexan-1-one.

Molecular Properties

Compound Name4-pyridin-2-ylcyclohexan-1-one
PubChem CID21187660
Molecular FormulaC11H13NO
Molecular Weight175.23 g/mol
Exact Mass175.10
IUPAC Name4-pyridin-2-ylcyclohexan-1-one
SMILESO=C1CCC(c2ccccn2)CC1
InChIInChI=1S/C11H13NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-3,8-9H,4-7H2
InChIKeyBHIIMPOVZNJDSZ-UHFFFAOYSA-N
XLogP2.31
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.23
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-pyridin-2-ylcyclohexan-1-one?
The IUPAC name of 4-pyridin-2-ylcyclohexan-1-one (CID 21187660) is 4-pyridin-2-ylcyclohexan-1-one.
What is the SMILES notation for 4-pyridin-2-ylcyclohexan-1-one?
The canonical SMILES for 4-pyridin-2-ylcyclohexan-1-one is O=C1CCC(c2ccccn2)CC1.
What is the InChIKey of 4-pyridin-2-ylcyclohexan-1-one?
The InChIKey is BHIIMPOVZNJDSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NO/c13-10-6-4-9(5-7-10)11-3-1-2-8-12-11/h1-3,8-9H,4-7H2.
What are the key properties of 4-pyridin-2-ylcyclohexan-1-one?
4-pyridin-2-ylcyclohexan-1-one has a molecular weight of 175.23 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyridin-2-ylcyclohexan-1-one is sourced from PubChem (CID 21187660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).