4-hydroxy-6-undecyl-1H-pyridin-2-one

C16H27NO2 — CID 54728809

IUPAC4-hydroxy-6-undecyl-1H-pyridin-2-one
SMILESCCCCCCCCCCCc1cc(O)cc(=O)[nH]1
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15(18)13-16(19)17-14/h12-13H,2-11H2,1H3,(H2,17,18,19)
InChIKeyZPTDBEYPRPDMEM-UHFFFAOYSA-N
MW265.40 g/mol
LogP4.15
Rot. Bonds10

About 4-hydroxy-6-undecyl-1H-pyridin-2-one

4-hydroxy-6-undecyl-1H-pyridin-2-one (PubChem CID 54728809) has the molecular formula C16H27NO2 and a molecular weight of 265.40 g/mol. Its IUPAC name is 4-hydroxy-6-undecyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-undecyl-1H-pyridin-2-one
PubChem CID54728809
Molecular FormulaC16H27NO2
Molecular Weight265.40 g/mol
Exact Mass265.20
IUPAC Name4-hydroxy-6-undecyl-1H-pyridin-2-one
SMILESCCCCCCCCCCCc1cc(O)cc(=O)[nH]1
InChIInChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15(18)13-16(19)17-14/h12-13H,2-11H2,1H3,(H2,17,18,19)
InChIKeyZPTDBEYPRPDMEM-UHFFFAOYSA-N
XLogP4.15
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.40
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-6-undecyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-undecyl-1H-pyridin-2-one (CID 54728809) is 4-hydroxy-6-undecyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-undecyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-undecyl-1H-pyridin-2-one is CCCCCCCCCCCc1cc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-undecyl-1H-pyridin-2-one?
The InChIKey is ZPTDBEYPRPDMEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO2/c1-2-3-4-5-6-7-8-9-10-11-14-12-15(18)13-16(19)17-14/h12-13H,2-11H2,1H3,(H2,17,18,19).
What are the key properties of 4-hydroxy-6-undecyl-1H-pyridin-2-one?
4-hydroxy-6-undecyl-1H-pyridin-2-one has a molecular weight of 265.40 g/mol, XLogP of 4.15, 10 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-undecyl-1H-pyridin-2-one is sourced from PubChem (CID 54728809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).