3,5-diethyl-1H-pyridin-4-one

C9H13NO — CID 19019567

IUPAC3,5-diethyl-1H-pyridin-4-one
SMILESCCc1c[nH]cc(CC)c1=O
InChIInChI=1S/C9H13NO/c1-3-7-5-10-6-8(4-2)9(7)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyMOOXHBQKVMCAOK-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.50
Rot. Bonds2

About 3,5-diethyl-1H-pyridin-4-one

3,5-diethyl-1H-pyridin-4-one (PubChem CID 19019567) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3,5-diethyl-1H-pyridin-4-one.

Molecular Properties

Compound Name3,5-diethyl-1H-pyridin-4-one
PubChem CID19019567
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3,5-diethyl-1H-pyridin-4-one
SMILESCCc1c[nH]cc(CC)c1=O
InChIInChI=1S/C9H13NO/c1-3-7-5-10-6-8(4-2)9(7)11/h5-6H,3-4H2,1-2H3,(H,10,11)
InChIKeyMOOXHBQKVMCAOK-UHFFFAOYSA-N
XLogP1.50
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-1H-pyridin-4-one?
The IUPAC name of 3,5-diethyl-1H-pyridin-4-one (CID 19019567) is 3,5-diethyl-1H-pyridin-4-one.
What is the SMILES notation for 3,5-diethyl-1H-pyridin-4-one?
The canonical SMILES for 3,5-diethyl-1H-pyridin-4-one is CCc1c[nH]cc(CC)c1=O.
What is the InChIKey of 3,5-diethyl-1H-pyridin-4-one?
The InChIKey is MOOXHBQKVMCAOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7-5-10-6-8(4-2)9(7)11/h5-6H,3-4H2,1-2H3,(H,10,11).
What are the key properties of 3,5-diethyl-1H-pyridin-4-one?
3,5-diethyl-1H-pyridin-4-one has a molecular weight of 151.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-1H-pyridin-4-one is sourced from PubChem (CID 19019567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).