2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone

C16H23NO — CID 79745576

IUPAC2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone
SMILESCCc1ccc(CC(=O)C2CCCC(C)C2)nc1
InChIInChI=1S/C16H23NO/c1-3-13-7-8-15(17-11-13)10-16(18)14-6-4-5-12(2)9-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyZQJASOCNSCFYML-UHFFFAOYSA-N
MW245.37 g/mol
LogP3.58
Rot. Bonds4

About 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone

2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone (PubChem CID 79745576) has the molecular formula C16H23NO and a molecular weight of 245.37 g/mol. Its IUPAC name is 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone.

Molecular Properties

Compound Name2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone
PubChem CID79745576
Molecular FormulaC16H23NO
Molecular Weight245.37 g/mol
Exact Mass245.18
IUPAC Name2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone
SMILESCCc1ccc(CC(=O)C2CCCC(C)C2)nc1
InChIInChI=1S/C16H23NO/c1-3-13-7-8-15(17-11-13)10-16(18)14-6-4-5-12(2)9-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3
InChIKeyZQJASOCNSCFYML-UHFFFAOYSA-N
XLogP3.58
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.37
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone?
The IUPAC name of 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone (CID 79745576) is 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone.
What is the SMILES notation for 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone?
The canonical SMILES for 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone is CCc1ccc(CC(=O)C2CCCC(C)C2)nc1.
What is the InChIKey of 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone?
The InChIKey is ZQJASOCNSCFYML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23NO/c1-3-13-7-8-15(17-11-13)10-16(18)14-6-4-5-12(2)9-14/h7-8,11-12,14H,3-6,9-10H2,1-2H3.
What are the key properties of 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone?
2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone has a molecular weight of 245.37 g/mol, XLogP of 3.58, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-ethyl-2-pyridinyl)-1-(3-methylcyclohexyl)ethanone is sourced from PubChem (CID 79745576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).