6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one

C13H19NO2 — CID 155539656

IUPAC6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
SMILESCCc1cc(C2CCCCC2)n(O)c(=O)c1
InChIInChI=1S/C13H19NO2/c1-2-10-8-12(14(16)13(15)9-10)11-6-4-3-5-7-11/h8-9,11,16H,2-7H2,1H3
InChIKeyPRMDLTWICDZNJC-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.70
Rot. Bonds2

About 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one

6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one (PubChem CID 155539656) has the molecular formula C13H19NO2 and a molecular weight of 221.30 g/mol. Its IUPAC name is 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one.

Molecular Properties

Compound Name6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
PubChem CID155539656
Molecular FormulaC13H19NO2
Molecular Weight221.30 g/mol
Exact Mass221.14
IUPAC Name6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one
SMILESCCc1cc(C2CCCCC2)n(O)c(=O)c1
InChIInChI=1S/C13H19NO2/c1-2-10-8-12(14(16)13(15)9-10)11-6-4-3-5-7-11/h8-9,11,16H,2-7H2,1H3
InChIKeyPRMDLTWICDZNJC-UHFFFAOYSA-N
XLogP2.70
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one?
The IUPAC name of 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one (CID 155539656) is 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one.
What is the SMILES notation for 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one?
The canonical SMILES for 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one is CCc1cc(C2CCCCC2)n(O)c(=O)c1.
What is the InChIKey of 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one?
The InChIKey is PRMDLTWICDZNJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19NO2/c1-2-10-8-12(14(16)13(15)9-10)11-6-4-3-5-7-11/h8-9,11,16H,2-7H2,1H3.
What are the key properties of 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one?
6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one has a molecular weight of 221.30 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-4-ethyl-1-hydroxypyridin-2-one is sourced from PubChem (CID 155539656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).