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

C13H21NO2 — CID 127044155

IUPAC4-hydroxy-6-octyl-1H-pyridin-2-one
SMILESCCCCCCCCc1cc(O)cc(=O)[nH]1
InChIInChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-11-9-12(15)10-13(16)14-11/h9-10H,2-8H2,1H3,(H2,14,15,16)
InChIKeyTVYSAOILNYPWAD-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.98
Rot. Bonds7

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

4-hydroxy-6-octyl-1H-pyridin-2-one (PubChem CID 127044155) has the molecular formula C13H21NO2 and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-hydroxy-6-octyl-1H-pyridin-2-one.

Molecular Properties

Compound Name4-hydroxy-6-octyl-1H-pyridin-2-one
PubChem CID127044155
Molecular FormulaC13H21NO2
Molecular Weight223.32 g/mol
Exact Mass223.16
IUPAC Name4-hydroxy-6-octyl-1H-pyridin-2-one
SMILESCCCCCCCCc1cc(O)cc(=O)[nH]1
InChIInChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-11-9-12(15)10-13(16)14-11/h9-10H,2-8H2,1H3,(H2,14,15,16)
InChIKeyTVYSAOILNYPWAD-UHFFFAOYSA-N
XLogP2.98
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.98
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-octyl-1H-pyridin-2-one?
The IUPAC name of 4-hydroxy-6-octyl-1H-pyridin-2-one (CID 127044155) is 4-hydroxy-6-octyl-1H-pyridin-2-one.
What is the SMILES notation for 4-hydroxy-6-octyl-1H-pyridin-2-one?
The canonical SMILES for 4-hydroxy-6-octyl-1H-pyridin-2-one is CCCCCCCCc1cc(O)cc(=O)[nH]1.
What is the InChIKey of 4-hydroxy-6-octyl-1H-pyridin-2-one?
The InChIKey is TVYSAOILNYPWAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO2/c1-2-3-4-5-6-7-8-11-9-12(15)10-13(16)14-11/h9-10H,2-8H2,1H3,(H2,14,15,16).
What are the key properties of 4-hydroxy-6-octyl-1H-pyridin-2-one?
4-hydroxy-6-octyl-1H-pyridin-2-one has a molecular weight of 223.32 g/mol, XLogP of 2.98, 7 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-6-octyl-1H-pyridin-2-one is sourced from PubChem (CID 127044155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).