3,5-dimethyl-1H-pyridin-4-one;ethane

C11H21NO — CID 144580025

IUPAC3,5-dimethyl-1H-pyridin-4-one;ethane
SMILESCC.CC.Cc1c[nH]cc(C)c1=O
InChIInChI=1S/C7H9NO.2C2H6/c1-5-3-8-4-6(2)7(5)9;2*1-2/h3-4H,1-2H3,(H,8,9);2*1-2H3
InChIKeyLWJNLJTWINPEAK-UHFFFAOYSA-N
MW183.29 g/mol
LogP3.04
Rot. Bonds

About 3,5-dimethyl-1H-pyridin-4-one;ethane

3,5-dimethyl-1H-pyridin-4-one;ethane (PubChem CID 144580025) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3,5-dimethyl-1H-pyridin-4-one;ethane.

Molecular Properties

Compound Name3,5-dimethyl-1H-pyridin-4-one;ethane
PubChem CID144580025
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3,5-dimethyl-1H-pyridin-4-one;ethane
SMILESCC.CC.Cc1c[nH]cc(C)c1=O
InChIInChI=1S/C7H9NO.2C2H6/c1-5-3-8-4-6(2)7(5)9;2*1-2/h3-4H,1-2H3,(H,8,9);2*1-2H3
InChIKeyLWJNLJTWINPEAK-UHFFFAOYSA-N
XLogP3.04
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-1H-pyridin-4-one;ethane?
The IUPAC name of 3,5-dimethyl-1H-pyridin-4-one;ethane (CID 144580025) is 3,5-dimethyl-1H-pyridin-4-one;ethane.
What is the SMILES notation for 3,5-dimethyl-1H-pyridin-4-one;ethane?
The canonical SMILES for 3,5-dimethyl-1H-pyridin-4-one;ethane is CC.CC.Cc1c[nH]cc(C)c1=O.
What is the InChIKey of 3,5-dimethyl-1H-pyridin-4-one;ethane?
The InChIKey is LWJNLJTWINPEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9NO.2C2H6/c1-5-3-8-4-6(2)7(5)9;2*1-2/h3-4H,1-2H3,(H,8,9);2*1-2H3.
What are the key properties of 3,5-dimethyl-1H-pyridin-4-one;ethane?
3,5-dimethyl-1H-pyridin-4-one;ethane has a molecular weight of 183.29 g/mol, XLogP of 3.04, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-1H-pyridin-4-one;ethane is sourced from PubChem (CID 144580025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).