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

C11H19NO — CID 13443196

IUPAC5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one
SMILESCC1C(=O)C=C(C(C)(C)C)CN1C
InChIInChI=1S/C11H19NO/c1-8-10(13)6-9(7-12(8)5)11(2,3)4/h6,8H,7H2,1-5H3
InChIKeyPLPMLAGTKBTIMU-UHFFFAOYSA-N
MW181.28 g/mol
LogP1.86
Rot. Bonds

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

5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one (PubChem CID 13443196) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one
PubChem CID13443196
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one
SMILESCC1C(=O)C=C(C(C)(C)C)CN1C
InChIInChI=1S/C11H19NO/c1-8-10(13)6-9(7-12(8)5)11(2,3)4/h6,8H,7H2,1-5H3
InChIKeyPLPMLAGTKBTIMU-UHFFFAOYSA-N
XLogP1.86
TPSA20.31 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 ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2H-Pyridin-3-one, 1,5-di-tert-butyl-1,6-dihydro-
CID 871578
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
1,5-Dimethyl-2-isopropyl-4,5-dehydro-3-piperidone hydrochloride
CID 14547881
1-Tert-butyl-4-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 2873148
1-tert-butyl-4-methyl-1,6-dihydropyridin-3(2H)-one
CID 760900
5-tert-butyl-1-methyl-1,6-dihydropyridin-3(2H)-one
CID 12260942
5-Tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 163331713
(E)-2-(dimethylamino)-4-methylhex-4-en-3-one
CID 20669988

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one?
The IUPAC name of 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one (CID 13443196) is 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one is CC1C(=O)C=C(C(C)(C)C)CN1C.
What is the InChIKey of 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one?
The InChIKey is PLPMLAGTKBTIMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-10(13)6-9(7-12(8)5)11(2,3)4/h6,8H,7H2,1-5H3.
What are the key properties of 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one?
5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one has a molecular weight of 181.28 g/mol, XLogP of 1.86, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dimethyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 13443196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).