5-(1-hydroxyhexyl)-1H-pyridin-2-one

C11H17NO2 — CID 21280493

IUPAC5-(1-hydroxyhexyl)-1H-pyridin-2-one
SMILESCCCCCC(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H17NO2/c1-2-3-4-5-10(13)9-6-7-11(14)12-8-9/h6-8,10,13H,2-5H2,1H3,(H,12,14)
InChIKeyLZISGIWSSSJXRL-UHFFFAOYSA-N
MW195.26 g/mol
LogP1.99
Rot. Bonds5

About 5-(1-hydroxyhexyl)-1H-pyridin-2-one

5-(1-hydroxyhexyl)-1H-pyridin-2-one (PubChem CID 21280493) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 5-(1-hydroxyhexyl)-1H-pyridin-2-one.

Molecular Properties

Compound Name5-(1-hydroxyhexyl)-1H-pyridin-2-one
PubChem CID21280493
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name5-(1-hydroxyhexyl)-1H-pyridin-2-one
SMILESCCCCCC(O)c1ccc(=O)[nH]c1
InChIInChI=1S/C11H17NO2/c1-2-3-4-5-10(13)9-6-7-11(14)12-8-9/h6-8,10,13H,2-5H2,1H3,(H,12,14)
InChIKeyLZISGIWSSSJXRL-UHFFFAOYSA-N
XLogP1.99
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-(1-hydroxyhexyl)-1H-pyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(1-hydroxyhexyl)-1H-pyridin-2-one?
The IUPAC name of 5-(1-hydroxyhexyl)-1H-pyridin-2-one (CID 21280493) is 5-(1-hydroxyhexyl)-1H-pyridin-2-one.
What is the SMILES notation for 5-(1-hydroxyhexyl)-1H-pyridin-2-one?
The canonical SMILES for 5-(1-hydroxyhexyl)-1H-pyridin-2-one is CCCCCC(O)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-(1-hydroxyhexyl)-1H-pyridin-2-one?
The InChIKey is LZISGIWSSSJXRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO2/c1-2-3-4-5-10(13)9-6-7-11(14)12-8-9/h6-8,10,13H,2-5H2,1H3,(H,12,14).
What are the key properties of 5-(1-hydroxyhexyl)-1H-pyridin-2-one?
5-(1-hydroxyhexyl)-1H-pyridin-2-one has a molecular weight of 195.26 g/mol, XLogP of 1.99, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-hydroxyhexyl)-1H-pyridin-2-one is sourced from PubChem (CID 21280493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).