4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one

C14H25NO — CID 23398291

IUPAC4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1CCC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C14H25NO/c1-13(2,3)10-8-9-15(7)12(16)11(10)14(4,5)6/h8-9H2,1-7H3
InChIKeyHKMUFWOHZLSERT-UHFFFAOYSA-N
MW223.36 g/mol
LogP3.24
Rot. Bonds

About 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one

4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one (PubChem CID 23398291) has the molecular formula C14H25NO and a molecular weight of 223.36 g/mol. Its IUPAC name is 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one
PubChem CID23398291
Molecular FormulaC14H25NO
Molecular Weight223.36 g/mol
Exact Mass223.19
IUPAC Name4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one
SMILESCN1CCC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C14H25NO/c1-13(2,3)10-8-9-15(7)12(16)11(10)14(4,5)6/h8-9H2,1-7H3
InChIKeyHKMUFWOHZLSERT-UHFFFAOYSA-N
XLogP3.24
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.36
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one?
The IUPAC name of 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one (CID 23398291) is 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one is CN1CCC(C(C)(C)C)=C(C(C)(C)C)C1=O.
What is the InChIKey of 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one?
The InChIKey is HKMUFWOHZLSERT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25NO/c1-13(2,3)10-8-9-15(7)12(16)11(10)14(4,5)6/h8-9H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one?
4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one has a molecular weight of 223.36 g/mol, XLogP of 3.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1-methyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 23398291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).