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

C11H17NO — CID 146209312

IUPAC3-hexan-2-yl-1H-pyridin-2-one
SMILESCCCCC(C)c1ccc[nH]c1=O
InChIInChI=1S/C11H17NO/c1-3-4-6-9(2)10-7-5-8-12-11(10)13/h5,7-9H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyPLZKBNUXEPQOGY-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.67
Rot. Bonds4

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

3-hexan-2-yl-1H-pyridin-2-one (PubChem CID 146209312) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-hexan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-hexan-2-yl-1H-pyridin-2-one
PubChem CID146209312
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-hexan-2-yl-1H-pyridin-2-one
SMILESCCCCC(C)c1ccc[nH]c1=O
InChIInChI=1S/C11H17NO/c1-3-4-6-9(2)10-7-5-8-12-11(10)13/h5,7-9H,3-4,6H2,1-2H3,(H,12,13)
InChIKeyPLZKBNUXEPQOGY-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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Related Compounds

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3-(dihydroxymethyl)-1H-pyridin-2-one
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3-nonyl-1H-pyridin-2-one
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3-[(1S)-1,2-diaminoethyl]-1H-pyridin-2-one
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1-fluoro-2-propan-2-ylbenzene;3-propan-2-yl-1H-pyridin-2-one
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3-pentoxy-1H-pyridin-2-one
CID 67377382
3-[(1S)-2-hydroxy-1-(methylamino)ethyl]-1H-pyridin-2-one
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3-[1-(7-propan-2-yl-1H-indol-4-yl)propan-2-yl]-1H-pyridin-2-one
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Frequently Asked Questions

What is the IUPAC name of 3-hexan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-hexan-2-yl-1H-pyridin-2-one (CID 146209312) is 3-hexan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-hexan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-hexan-2-yl-1H-pyridin-2-one is CCCCC(C)c1ccc[nH]c1=O.
What is the InChIKey of 3-hexan-2-yl-1H-pyridin-2-one?
The InChIKey is PLZKBNUXEPQOGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-4-6-9(2)10-7-5-8-12-11(10)13/h5,7-9H,3-4,6H2,1-2H3,(H,12,13).
What are the key properties of 3-hexan-2-yl-1H-pyridin-2-one?
3-hexan-2-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 3-hexan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 146209312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).