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

C12H19NO2 — CID 54678947

IUPAC6-heptyl-4-hydroxy-1H-pyridin-2-one
SMILESCCCCCCCc1cc(O)cc(=O)[nH]1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-6-7-10-8-11(14)9-12(15)13-10/h8-9H,2-7H2,1H3,(H2,13,14,15)
InChIKeyKWUKYRBGQDBGCJ-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.59
Rot. Bonds6

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

6-heptyl-4-hydroxy-1H-pyridin-2-one (PubChem CID 54678947) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 6-heptyl-4-hydroxy-1H-pyridin-2-one.

Molecular Properties

Compound Name6-heptyl-4-hydroxy-1H-pyridin-2-one
PubChem CID54678947
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name6-heptyl-4-hydroxy-1H-pyridin-2-one
SMILESCCCCCCCc1cc(O)cc(=O)[nH]1
InChIInChI=1S/C12H19NO2/c1-2-3-4-5-6-7-10-8-11(14)9-12(15)13-10/h8-9H,2-7H2,1H3,(H2,13,14,15)
InChIKeyKWUKYRBGQDBGCJ-UHFFFAOYSA-N
XLogP2.59
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.59
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 6-heptyl-4-hydroxy-1H-pyridin-2-one?
The IUPAC name of 6-heptyl-4-hydroxy-1H-pyridin-2-one (CID 54678947) is 6-heptyl-4-hydroxy-1H-pyridin-2-one.
What is the SMILES notation for 6-heptyl-4-hydroxy-1H-pyridin-2-one?
The canonical SMILES for 6-heptyl-4-hydroxy-1H-pyridin-2-one is CCCCCCCc1cc(O)cc(=O)[nH]1.
What is the InChIKey of 6-heptyl-4-hydroxy-1H-pyridin-2-one?
The InChIKey is KWUKYRBGQDBGCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-2-3-4-5-6-7-10-8-11(14)9-12(15)13-10/h8-9H,2-7H2,1H3,(H2,13,14,15).
What are the key properties of 6-heptyl-4-hydroxy-1H-pyridin-2-one?
6-heptyl-4-hydroxy-1H-pyridin-2-one has a molecular weight of 209.29 g/mol, XLogP of 2.59, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-heptyl-4-hydroxy-1H-pyridin-2-one is sourced from PubChem (CID 54678947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).