6-hexan-3-yl-1H-pyridin-2-one

C11H17NO — CID 126560886

IUPAC6-hexan-3-yl-1H-pyridin-2-one
SMILESCCCC(CC)c1cccc(=O)[nH]1
InChIInChI=1S/C11H17NO/c1-3-6-9(4-2)10-7-5-8-11(13)12-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyRLEAGXMYZKRUAE-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.67
Rot. Bonds4

About 6-hexan-3-yl-1H-pyridin-2-one

6-hexan-3-yl-1H-pyridin-2-one (PubChem CID 126560886) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 6-hexan-3-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-hexan-3-yl-1H-pyridin-2-one
PubChem CID126560886
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name6-hexan-3-yl-1H-pyridin-2-one
SMILESCCCC(CC)c1cccc(=O)[nH]1
InChIInChI=1S/C11H17NO/c1-3-6-9(4-2)10-7-5-8-11(13)12-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyRLEAGXMYZKRUAE-UHFFFAOYSA-N
XLogP2.67
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-hexan-3-yl-1H-pyridin-2-one?
The IUPAC name of 6-hexan-3-yl-1H-pyridin-2-one (CID 126560886) is 6-hexan-3-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-hexan-3-yl-1H-pyridin-2-one?
The canonical SMILES for 6-hexan-3-yl-1H-pyridin-2-one is CCCC(CC)c1cccc(=O)[nH]1.
What is the InChIKey of 6-hexan-3-yl-1H-pyridin-2-one?
The InChIKey is RLEAGXMYZKRUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-6-9(4-2)10-7-5-8-11(13)12-10/h5,7-9H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 6-hexan-3-yl-1H-pyridin-2-one?
6-hexan-3-yl-1H-pyridin-2-one has a molecular weight of 179.26 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hexan-3-yl-1H-pyridin-2-one is sourced from PubChem (CID 126560886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).