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

C10H17NO — CID 14146869

IUPAC4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1CCC(C(C)(C)C)=CC1=O
InChIInChI=1S/C10H17NO/c1-10(2,3)8-5-6-11(4)9(12)7-8/h7H,5-6H2,1-4H3
InChIKeyFRHDQDIWAFZGQP-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.82
Rot. Bonds

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

4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one (PubChem CID 14146869) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one
PubChem CID14146869
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1CCC(C(C)(C)C)=CC1=O
InChIInChI=1S/C10H17NO/c1-10(2,3)8-5-6-11(4)9(12)7-8/h7H,5-6H2,1-4H3
InChIKeyFRHDQDIWAFZGQP-UHFFFAOYSA-N
XLogP1.82
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one (CID 14146869) is 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one is CN1CCC(C(C)(C)C)=CC1=O.
What is the InChIKey of 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is FRHDQDIWAFZGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-10(2,3)8-5-6-11(4)9(12)7-8/h7H,5-6H2,1-4H3.
What are the key properties of 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one?
4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 167.25 g/mol, XLogP of 1.82, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 14146869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).