4-hydroxy-1-pentadecan-8-ylpyridin-2-one

C20H35NO2 — CID 167039586

IUPAC4-hydroxy-1-pentadecan-8-ylpyridin-2-one
SMILESCCCCCCCC(CCCCCCC)n1ccc(O)cc1=O
InChIInChI=1S/C20H35NO2/c1-3-5-7-9-11-13-18(14-12-10-8-6-4-2)21-16-15-19(22)17-20(21)23/h15-18,22H,3-14H2,1-2H3
InChIKeyQBNYOWKEOJSPCT-UHFFFAOYSA-N
MW321.50 g/mol
LogP5.82
Rot. Bonds13

About 4-hydroxy-1-pentadecan-8-ylpyridin-2-one

4-hydroxy-1-pentadecan-8-ylpyridin-2-one (PubChem CID 167039586) has the molecular formula C20H35NO2 and a molecular weight of 321.50 g/mol. Its IUPAC name is 4-hydroxy-1-pentadecan-8-ylpyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-1-pentadecan-8-ylpyridin-2-one
PubChem CID167039586
Molecular FormulaC20H35NO2
Molecular Weight321.50 g/mol
Exact Mass321.27
IUPAC Name4-hydroxy-1-pentadecan-8-ylpyridin-2-one
SMILESCCCCCCCC(CCCCCCC)n1ccc(O)cc1=O
InChIInChI=1S/C20H35NO2/c1-3-5-7-9-11-13-18(14-12-10-8-6-4-2)21-16-15-19(22)17-20(21)23/h15-18,22H,3-14H2,1-2H3
InChIKeyQBNYOWKEOJSPCT-UHFFFAOYSA-N
XLogP5.82
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.50
LogP ≤ 55.82
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 4-hydroxy-1-pentadecan-8-ylpyridin-2-one?
The IUPAC name of 4-hydroxy-1-pentadecan-8-ylpyridin-2-one (CID 167039586) is 4-hydroxy-1-pentadecan-8-ylpyridin-2-one.
What is the SMILES notation for 4-hydroxy-1-pentadecan-8-ylpyridin-2-one?
The canonical SMILES for 4-hydroxy-1-pentadecan-8-ylpyridin-2-one is CCCCCCCC(CCCCCCC)n1ccc(O)cc1=O.
What is the InChIKey of 4-hydroxy-1-pentadecan-8-ylpyridin-2-one?
The InChIKey is QBNYOWKEOJSPCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H35NO2/c1-3-5-7-9-11-13-18(14-12-10-8-6-4-2)21-16-15-19(22)17-20(21)23/h15-18,22H,3-14H2,1-2H3.
What are the key properties of 4-hydroxy-1-pentadecan-8-ylpyridin-2-one?
4-hydroxy-1-pentadecan-8-ylpyridin-2-one has a molecular weight of 321.50 g/mol, XLogP of 5.82, 13 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-1-pentadecan-8-ylpyridin-2-one is sourced from PubChem (CID 167039586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).