3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one

C11H19NO — CID 178011838

IUPAC3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one
SMILESCC1(C)C=NC(=O)C(C(C)(C)C)C1
InChIInChI=1S/C11H19NO/c1-10(2,3)8-6-11(4,5)7-12-9(8)13/h7-8H,6H2,1-5H3
InChIKeyJUSGCEHNLNENJV-UHFFFAOYSA-N
MW181.28 g/mol
LogP2.68
Rot. Bonds

About 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one

3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one (PubChem CID 178011838) has the molecular formula C11H19NO and a molecular weight of 181.28 g/mol. Its IUPAC name is 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one
PubChem CID178011838
Molecular FormulaC11H19NO
Molecular Weight181.28 g/mol
Exact Mass181.15
IUPAC Name3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one
SMILESCC1(C)C=NC(=O)C(C(C)(C)C)C1
InChIInChI=1S/C11H19NO/c1-10(2,3)8-6-11(4,5)7-12-9(8)13/h7-8H,6H2,1-5H3
InChIKeyJUSGCEHNLNENJV-UHFFFAOYSA-N
XLogP2.68
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.28
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-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

3-tert-butyl-3,4-dihydro-2H-pyridin-5-one
CID 58468605
5-ethyl-4,5-dihydro-3H-pyridin-2-one
CID 123333239
3,3,5,5-tetramethyl-4H-pyridin-2-one
CID 141131117
4,4-diethyl-3H-pyrrol-2-one
CID 141219568
4,4-Dimethyl-3,5-dihydropyridin-2-one
CID 153714555

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one?
The IUPAC name of 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one (CID 178011838) is 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one is CC1(C)C=NC(=O)C(C(C)(C)C)C1.
What is the InChIKey of 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one?
The InChIKey is JUSGCEHNLNENJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19NO/c1-10(2,3)8-6-11(4,5)7-12-9(8)13/h7-8H,6H2,1-5H3.
What are the key properties of 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one?
3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one has a molecular weight of 181.28 g/mol, XLogP of 2.68, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5,5-dimethyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 178011838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).