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

C11H19NO — CID 3438403

IUPAC1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)C(C)N(C(C)(C)C)C1
InChIInChI=1S/C11H19NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h6,9H,7H2,1-5H3
InChIKeyNANXSKGVBORGJL-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.00
Rot. Bonds

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

1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one (PubChem CID 3438403) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one
PubChem CID3438403
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one
SMILESCC1=CC(=O)C(C)N(C(C)(C)C)C1
InChIInChI=1S/C11H19NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h6,9H,7H2,1-5H3
InChIKeyNANXSKGVBORGJL-UHFFFAOYSA-N
XLogP2.00
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 ≤ 52.00
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
1,2,5-Trimethyl-4,5-dehydropiperid-3-one
CID 3591042
1,5-Dimethyl-2-isopropyl-4,5-dehydro-3-piperidone hydrochloride
CID 14547881
1-Ethyl-5-methyl-2,6-dihydropyridin-3-one
CID 1415642
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
(2R)-1,2,5-trimethyl-2,6-dihydro-1H-pyridin-1-ium-3-one
CID 6984975
5-(Tert-butyl)-1,2-dimethyl-1,6-dihydro-3(2H)-pyridinone
CID 13443196
1-Tert-butyl-5-methyl-2,6-dihydropyridin-3-one;hydrochloride
CID 146051328
1,5-Dimethyl-1,6-dihydropyridin-3(2H)-one
CID 1415560

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one (CID 3438403) is 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one is CC1=CC(=O)C(C)N(C(C)(C)C)C1.
What is the InChIKey of 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one?
The InChIKey is NANXSKGVBORGJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-8-6-10(13)9(2)12(7-8)11(3,4)5/h6,9H,7H2,1-5H3.
What are the key properties of 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one?
1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one has a molecular weight of 181.28 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-2,5-dimethyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 3438403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).