2,6-dipropyl-1H-pyridin-4-one

C11H17NO — CID 137405391

IUPAC2,6-dipropyl-1H-pyridin-4-one
SMILESCCCc1cc(=O)cc(CCC)[nH]1
InChIInChI=1S/C11H17NO/c1-3-5-9-7-11(13)8-10(12-9)6-4-2/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyDYTFJEUIUOQXJP-UHFFFAOYSA-N
MW179.26 g/mol
LogP2.28
Rot. Bonds4

About 2,6-dipropyl-1H-pyridin-4-one

2,6-dipropyl-1H-pyridin-4-one (PubChem CID 137405391) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 2,6-dipropyl-1H-pyridin-4-one.

Molecular Properties

Compound Name2,6-dipropyl-1H-pyridin-4-one
PubChem CID137405391
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name2,6-dipropyl-1H-pyridin-4-one
SMILESCCCc1cc(=O)cc(CCC)[nH]1
InChIInChI=1S/C11H17NO/c1-3-5-9-7-11(13)8-10(12-9)6-4-2/h7-8H,3-6H2,1-2H3,(H,12,13)
InChIKeyDYTFJEUIUOQXJP-UHFFFAOYSA-N
XLogP2.28
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 ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,6-dipropyl-1H-pyridin-4-one?
The IUPAC name of 2,6-dipropyl-1H-pyridin-4-one (CID 137405391) is 2,6-dipropyl-1H-pyridin-4-one.
What is the SMILES notation for 2,6-dipropyl-1H-pyridin-4-one?
The canonical SMILES for 2,6-dipropyl-1H-pyridin-4-one is CCCc1cc(=O)cc(CCC)[nH]1.
What is the InChIKey of 2,6-dipropyl-1H-pyridin-4-one?
The InChIKey is DYTFJEUIUOQXJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-3-5-9-7-11(13)8-10(12-9)6-4-2/h7-8H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 2,6-dipropyl-1H-pyridin-4-one?
2,6-dipropyl-1H-pyridin-4-one has a molecular weight of 179.26 g/mol, XLogP of 2.28, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dipropyl-1H-pyridin-4-one is sourced from PubChem (CID 137405391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).