6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane

C13H23NO — CID 169256471

IUPAC6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane
SMILESCC.Cc1cc(C)c(=O)[nH]c1C(C)(C)C
InChIInChI=1S/C11H17NO.C2H6/c1-7-6-8(2)10(13)12-9(7)11(3,4)5;1-2/h6H,1-5H3,(H,12,13);1-2H3
InChIKeyHWCKQUUMUDDXNA-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.32
Rot. Bonds

About 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane

6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane (PubChem CID 169256471) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane.

Molecular Properties

Compound Name6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane
PubChem CID169256471
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane
SMILESCC.Cc1cc(C)c(=O)[nH]c1C(C)(C)C
InChIInChI=1S/C11H17NO.C2H6/c1-7-6-8(2)10(13)12-9(7)11(3,4)5;1-2/h6H,1-5H3,(H,12,13);1-2H3
InChIKeyHWCKQUUMUDDXNA-UHFFFAOYSA-N
XLogP3.32
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane?
The IUPAC name of 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane (CID 169256471) is 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane.
What is the SMILES notation for 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane?
The canonical SMILES for 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane is CC.Cc1cc(C)c(=O)[nH]c1C(C)(C)C.
What is the InChIKey of 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane?
The InChIKey is HWCKQUUMUDDXNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO.C2H6/c1-7-6-8(2)10(13)12-9(7)11(3,4)5;1-2/h6H,1-5H3,(H,12,13);1-2H3.
What are the key properties of 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane?
6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane has a molecular weight of 209.33 g/mol, XLogP of 3.32, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3,5-dimethyl-1H-pyridin-2-one;ethane is sourced from PubChem (CID 169256471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).