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

C13H23NO — CID 871578

IUPAC1,5-ditert-butyl-2,6-dihydropyridin-3-one
SMILESCC(C)(C)C1=CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C13H23NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h7H,8-9H2,1-6H3
InChIKeyBBFSUMGWYSYJOV-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.64
Rot. Bonds

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

1,5-ditert-butyl-2,6-dihydropyridin-3-one (PubChem CID 871578) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1,5-ditert-butyl-2,6-dihydropyridin-3-one.

Molecular Properties

Compound Name1,5-ditert-butyl-2,6-dihydropyridin-3-one
PubChem CID871578
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1,5-ditert-butyl-2,6-dihydropyridin-3-one
SMILESCC(C)(C)C1=CC(=O)CN(C(C)(C)C)C1
InChIInChI=1S/C13H23NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h7H,8-9H2,1-6H3
InChIKeyBBFSUMGWYSYJOV-UHFFFAOYSA-N
XLogP2.64
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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

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

Launch Full Analysis

Related Compounds

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-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
5-tert-butyl-1-methyl-1,6-dihydropyridin-3(2H)-one
CID 12260942
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
5-Tert-butyl-1-methyl-2,6-dihydropyridin-3-one;hydrobromide
CID 163331713
1-Methyl-5-propan-2-yl-2,6-dihydropyridin-3-one
CID 45095922

Frequently Asked Questions

What is the IUPAC name of 1,5-ditert-butyl-2,6-dihydropyridin-3-one?
The IUPAC name of 1,5-ditert-butyl-2,6-dihydropyridin-3-one (CID 871578) is 1,5-ditert-butyl-2,6-dihydropyridin-3-one.
What is the SMILES notation for 1,5-ditert-butyl-2,6-dihydropyridin-3-one?
The canonical SMILES for 1,5-ditert-butyl-2,6-dihydropyridin-3-one is CC(C)(C)C1=CC(=O)CN(C(C)(C)C)C1.
What is the InChIKey of 1,5-ditert-butyl-2,6-dihydropyridin-3-one?
The InChIKey is BBFSUMGWYSYJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,3)10-7-11(15)9-14(8-10)13(4,5)6/h7H,8-9H2,1-6H3.
What are the key properties of 1,5-ditert-butyl-2,6-dihydropyridin-3-one?
1,5-ditert-butyl-2,6-dihydropyridin-3-one has a molecular weight of 209.33 g/mol, XLogP of 2.64, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-ditert-butyl-2,6-dihydropyridin-3-one is sourced from PubChem (CID 871578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).