5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione

C15H25NO2 — CID 20871958

IUPAC5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione
SMILESCC1C(=O)C(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C15H25NO2/c1-9-11(17)10(14(2,3)4)12(15(5,6)7)16(8)13(9)18/h9H,1-8H3
InChIKeyLMMVLRNQEWDKRZ-UHFFFAOYSA-N
MW251.37 g/mol
LogP3.01
Rot. Bonds

About 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione

5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione (PubChem CID 20871958) has the molecular formula C15H25NO2 and a molecular weight of 251.37 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione.

Molecular Properties

Compound Name5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione
PubChem CID20871958
Molecular FormulaC15H25NO2
Molecular Weight251.37 g/mol
Exact Mass251.19
IUPAC Name5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione
SMILESCC1C(=O)C(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O
InChIInChI=1S/C15H25NO2/c1-9-11(17)10(14(2,3)4)12(15(5,6)7)16(8)13(9)18/h9H,1-8H3
InChIKeyLMMVLRNQEWDKRZ-UHFFFAOYSA-N
XLogP3.01
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.37
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

3-(2,2-Dimethylpropanoyl)-1-methyl-4-propan-2-ylideneazetidin-2-one
CID 13793929
2,4(1H,3H)-Pyridinedione, 6-methyl-3-(1-oxopropyl)-1-propyl-
CID 91721290
5,6-Ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one
CID 20871964
5,6-Ditert-butyl-1,3-dimethyl-3,4-dihydropyridin-2-one
CID 23402519
3-Butyl-5,6-ditert-butyl-1-methylpyridine-2,4-dione
CID 23402591
5,6-Ditert-butyl-1-methyl-3-propylpyridine-2,4-dione
CID 23552343
3,4-ditert-butyl-1,6-dimethyl-2H-azepine-5,7-dione
CID 23592069
3-tert-butyl-1,6-dimethyl-4-propan-2-yl-2H-azepine-5,7-dione
CID 58414437
5,6-ditert-butyl-3-methyl-1H-pyridine-2,4-dione
CID 59319498
N-[(Z)-3-acetyl-5-methylhex-2-en-2-yl]-N-methylpropanamide
CID 143699686
5-Acetyl-1,3,6-trimethylpyridine-2,4-dione
CID 163632365
1,2,6-Trimethyl-4-oxo-5-propan-2-ylpyridine-3-carboxamide
CID 176017108

Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione?
The IUPAC name of 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione (CID 20871958) is 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione.
What is the SMILES notation for 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione?
The canonical SMILES for 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione is CC1C(=O)C(C(C)(C)C)=C(C(C)(C)C)N(C)C1=O.
What is the InChIKey of 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione?
The InChIKey is LMMVLRNQEWDKRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO2/c1-9-11(17)10(14(2,3)4)12(15(5,6)7)16(8)13(9)18/h9H,1-8H3.
What are the key properties of 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione?
5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione has a molecular weight of 251.37 g/mol, XLogP of 3.01, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-1,3-dimethylpyridine-2,4-dione is sourced from PubChem (CID 20871958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).