1-hexylpyridin-2-one

C11H17NO — CID 19959720

IUPAC1-hexylpyridin-2-one
SMILESCCCCCCn1ccccc1=O
InChIInChI=1S/C11H17NO/c1-2-3-4-6-9-12-10-7-5-8-11(12)13/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeyIUMAYYKTOYIKBH-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.43
Rot. Bonds5

About 1-hexylpyridin-2-one

1-hexylpyridin-2-one (PubChem CID 19959720) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 1-hexylpyridin-2-one.

Molecular Properties

Compound Name1-hexylpyridin-2-one
PubChem CID19959720
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name1-hexylpyridin-2-one
SMILESCCCCCCn1ccccc1=O
InChIInChI=1S/C11H17NO/c1-2-3-4-6-9-12-10-7-5-8-11(12)13/h5,7-8,10H,2-4,6,9H2,1H3
InChIKeyIUMAYYKTOYIKBH-UHFFFAOYSA-N
XLogP2.43
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.43
H-Bond Donors ≤ 50
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 1-hexylpyridin-2-one?
The IUPAC name of 1-hexylpyridin-2-one (CID 19959720) is 1-hexylpyridin-2-one.
What is the SMILES notation for 1-hexylpyridin-2-one?
The canonical SMILES for 1-hexylpyridin-2-one is CCCCCCn1ccccc1=O.
What is the InChIKey of 1-hexylpyridin-2-one?
The InChIKey is IUMAYYKTOYIKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-2-3-4-6-9-12-10-7-5-8-11(12)13/h5,7-8,10H,2-4,6,9H2,1H3.
What are the key properties of 1-hexylpyridin-2-one?
1-hexylpyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hexylpyridin-2-one is sourced from PubChem (CID 19959720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).