6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one

C11H19NO — CID 158566650

IUPAC6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one
SMILESCC(C)(C)C1=NCC(=O)C(C)(C)C1
InChIInChI=1S/C11H19NO/c1-10(2,3)8-6-11(4,5)9(13)7-12-8/h6-7H2,1-5H3
InChIKeyYHKRJLNTOGIHJF-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.47
Rot. Bonds

About 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one

6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one (PubChem CID 158566650) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one.

Molecular Properties

Compound Name6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one
PubChem CID158566650
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one
SMILESCC(C)(C)C1=NCC(=O)C(C)(C)C1
InChIInChI=1S/C11H19NO/c1-10(2,3)8-6-11(4,5)9(13)7-12-8/h6-7H2,1-5H3
InChIKeyYHKRJLNTOGIHJF-UHFFFAOYSA-N
XLogP2.47
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one?
The IUPAC name of 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one (CID 158566650) is 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one.
What is the SMILES notation for 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one?
The canonical SMILES for 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one is CC(C)(C)C1=NCC(=O)C(C)(C)C1.
What is the InChIKey of 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one?
The InChIKey is YHKRJLNTOGIHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2,3)8-6-11(4,5)9(13)7-12-8/h6-7H2,1-5H3.
What are the key properties of 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one?
6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-4,4-dimethyl-2,5-dihydropyridin-3-one is sourced from PubChem (CID 158566650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).