1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one

C10H17NO — CID 592338

IUPAC1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C10H17NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h5H,6-7H2,1-4H3
InChIKeyKNERKISJHYBTQY-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds

About 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one

1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one (PubChem CID 592338) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one
PubChem CID592338
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C10H17NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h5H,6-7H2,1-4H3
InChIKeyKNERKISJHYBTQY-UHFFFAOYSA-N
XLogP1.62
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one (CID 592338) is 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one is CC1=CC(=O)CN(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one?
The InChIKey is KNERKISJHYBTQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-9(12)7-11(6-8)10(2,3)4/h5H,6-7H2,1-4H3.
What are the key properties of 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one?
1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one has a molecular weight of 167.25 g/mol, XLogP of 1.62, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-5-methyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 592338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).