1-(5-hydroxypentyl)pyridin-4-one

C10H15NO2 — CID 62880345

IUPAC1-(5-hydroxypentyl)pyridin-4-one
SMILESO=c1ccn(CCCCCO)cc1
InChIInChI=1S/C10H15NO2/c12-9-3-1-2-6-11-7-4-10(13)5-8-11/h4-5,7-8,12H,1-3,6,9H2
InChIKeyULJVZCCUSOJTMM-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.01
Rot. Bonds5

About 1-(5-hydroxypentyl)pyridin-4-one

1-(5-hydroxypentyl)pyridin-4-one (PubChem CID 62880345) has the molecular formula C10H15NO2 and a molecular weight of 181.24 g/mol. Its IUPAC name is 1-(5-hydroxypentyl)pyridin-4-one.

Molecular Properties

Compound Name1-(5-hydroxypentyl)pyridin-4-one
PubChem CID62880345
Molecular FormulaC10H15NO2
Molecular Weight181.24 g/mol
Exact Mass181.11
IUPAC Name1-(5-hydroxypentyl)pyridin-4-one
SMILESO=c1ccn(CCCCCO)cc1
InChIInChI=1S/C10H15NO2/c12-9-3-1-2-6-11-7-4-10(13)5-8-11/h4-5,7-8,12H,1-3,6,9H2
InChIKeyULJVZCCUSOJTMM-UHFFFAOYSA-N
XLogP1.01
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 51.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-hydroxypentyl)pyridin-4-one?
The IUPAC name of 1-(5-hydroxypentyl)pyridin-4-one (CID 62880345) is 1-(5-hydroxypentyl)pyridin-4-one.
What is the SMILES notation for 1-(5-hydroxypentyl)pyridin-4-one?
The canonical SMILES for 1-(5-hydroxypentyl)pyridin-4-one is O=c1ccn(CCCCCO)cc1.
What is the InChIKey of 1-(5-hydroxypentyl)pyridin-4-one?
The InChIKey is ULJVZCCUSOJTMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c12-9-3-1-2-6-11-7-4-10(13)5-8-11/h4-5,7-8,12H,1-3,6,9H2.
What are the key properties of 1-(5-hydroxypentyl)pyridin-4-one?
1-(5-hydroxypentyl)pyridin-4-one has a molecular weight of 181.24 g/mol, XLogP of 1.01, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-hydroxypentyl)pyridin-4-one is sourced from PubChem (CID 62880345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).