1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one

C10H17NO — CID 760900

IUPAC1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one
SMILESCC1=CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C10H17NO/c1-8-5-6-11(7-9(8)12)10(2,3)4/h5H,6-7H2,1-4H3
InChIKeyJOFJCRVLOOICDC-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.62
Rot. Bonds

About 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one

1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one (PubChem CID 760900) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one
PubChem CID760900
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one
SMILESCC1=CCN(C(C)(C)C)CC1=O
InChIInChI=1S/C10H17NO/c1-8-5-6-11(7-9(8)12)10(2,3)4/h5H,6-7H2,1-4H3
InChIKeyJOFJCRVLOOICDC-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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Related Compounds

1-(1-Methyl-1,2,5,6-tetrahydro-3-pyridinyl)ethanone
CID 10975568
4-Acetyl-1,1-dimethyl-1,2,3,6-tetrahydro-pyridinium; iodide
CID 146969
2H-Pyridin-3-one, 1,5-di-tert-butyl-1,6-dihydro-
CID 871578
Arecolone methiodide
CID 135929
Cambridge id 5548354
CID 2851696
Azacyclohex-3-en-5-one, 1-tert-butyl-3-methyl-
CID 592338
1,4-Di-t-butyl-4,5-dehydropiperid-3-one
CID 1415588
1-t-Butyl-2,5-dimethyl-4,5-dehydro-3-piperidone
CID 3438403
1,2,5-Trimethyl-4,5-dehydropiperid-3-one
CID 3591042
1-Ethyl-5-methyl-2,6-dihydropyridin-3-one
CID 1415642
1-Tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 2873148
5-tert-butyl-1-methyl-1,6-dihydropyridin-3(2H)-one
CID 12260942

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one (CID 760900) is 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one is CC1=CCN(C(C)(C)C)CC1=O.
What is the InChIKey of 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one?
The InChIKey is JOFJCRVLOOICDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-8-5-6-11(7-9(8)12)10(2,3)4/h5H,6-7H2,1-4H3.
What are the key properties of 1-tert-butyl-4-methyl-2,6-dihydropyridin-3-one?
1-tert-butyl-4-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-4-methyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 760900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).