1-tert-butyl-4-hydroxy-6-methylpyridin-2-one

C10H15NO2 — CID 58821072

IUPAC1-tert-butyl-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1C(C)(C)C
InChIInChI=1S/C10H15NO2/c1-7-5-8(12)6-9(13)11(7)10(2,3)4/h5-6,12H,1-4H3
InChIKeyGWLSYNYJMYZIRW-UHFFFAOYSA-N
MW181.23 g/mol
LogP1.62
Rot. Bonds

About 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one

1-tert-butyl-4-hydroxy-6-methylpyridin-2-one (PubChem CID 58821072) has the molecular formula C10H15NO2 and a molecular weight of 181.23 g/mol. Its IUPAC name is 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one.

Molecular Properties

Compound Name1-tert-butyl-4-hydroxy-6-methylpyridin-2-one
PubChem CID58821072
Molecular FormulaC10H15NO2
Molecular Weight181.23 g/mol
Exact Mass181.11
IUPAC Name1-tert-butyl-4-hydroxy-6-methylpyridin-2-one
SMILESCc1cc(O)cc(=O)n1C(C)(C)C
InChIInChI=1S/C10H15NO2/c1-7-5-8(12)6-9(13)11(7)10(2,3)4/h5-6,12H,1-4H3
InChIKeyGWLSYNYJMYZIRW-UHFFFAOYSA-N
XLogP1.62
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.23
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-Hydroxy-1,6-dimethyl-1,2-dihydropyridin-2-one
CID 54676118
1-ethyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54680702
1-[1-(Fluoromethyl)cyclopropyl]-4-hydroxy-6-methylpyridin-2-one
CID 175934964
4-Hydroxy-6-methyl-1-propylpyridin-2(1H)-one
CID 54678658
1-allyl-4-hydroxy-6-methylpyridin-2(1H)-one
CID 54687827
1-Butyl-4-hydroxy-6-methylpyridin-2-one
CID 54710228
4-Hydroxy-6-methyl-1-propan-2-ylpyridin-2-one
CID 75366113
4-Hydroxy-6-methyl-1-(2-methylpropyl)pyridin-2-one
CID 91901610
4-Hydroxy-1,3,6-trimethylpyridin-2-one
CID 141296434
4-Hydroxy-1-methoxy-6-methylpyridin-2-one
CID 141516133
1-[(2E,4E)-4-hydroxyhexa-2,4-dien-2-yl]pyrrole-2,5-dione
CID 142195833
1-But-1-en-2-yl-4-hydroxy-6-methylpyridin-2-one
CID 155599940

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one?
The IUPAC name of 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one (CID 58821072) is 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one.
What is the SMILES notation for 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one?
The canonical SMILES for 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one is Cc1cc(O)cc(=O)n1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one?
The InChIKey is GWLSYNYJMYZIRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO2/c1-7-5-8(12)6-9(13)11(7)10(2,3)4/h5-6,12H,1-4H3.
What are the key properties of 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one?
1-tert-butyl-4-hydroxy-6-methylpyridin-2-one has a molecular weight of 181.23 g/mol, XLogP of 1.62, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-hydroxy-6-methylpyridin-2-one is sourced from PubChem (CID 58821072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).