4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione

C14H23NO2 — CID 23592085

IUPAC4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione
SMILESCN1C(=O)CC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C14H23NO2/c1-13(2,3)9-8-10(16)15(7)12(17)11(9)14(4,5)6/h8H2,1-7H3
InChIKeyMCPHYKQAUVLHLH-UHFFFAOYSA-N
MW237.34 g/mol
LogP2.76
Rot. Bonds

About 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione

4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione (PubChem CID 23592085) has the molecular formula C14H23NO2 and a molecular weight of 237.34 g/mol. Its IUPAC name is 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione.

Molecular Properties

Compound Name4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione
PubChem CID23592085
Molecular FormulaC14H23NO2
Molecular Weight237.34 g/mol
Exact Mass237.17
IUPAC Name4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione
SMILESCN1C(=O)CC(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C14H23NO2/c1-13(2,3)9-8-10(16)15(7)12(17)11(9)14(4,5)6/h8H2,1-7H3
InChIKeyMCPHYKQAUVLHLH-UHFFFAOYSA-N
XLogP2.76
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.34
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

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CID 19880755
1,4,5-tritert-butyl-3H-pyrrol-2-one
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4,5-ditert-butyl-1,1-dioxo-2-propyl-6,7-dihydrothiazepin-3-one
CID 20773073
6,7-ditert-butyl-4-methyl-2,3-dihydro-1,4-oxazepin-5-one
CID 23592127
(3Z)-3-(methoxymethylidene)-1-methylpyrrolidine-2,5-dione
CID 6112532
6,7-ditert-butyl-1,4-dimethyl-2,5-dihydro-1,4-diazepin-3-one
CID 23592071
5,6-ditert-butyl-3-methyl-2H-1,3-thiazin-4-one
CID 59123900
5,6-ditert-butyl-3-propyl-2H-1,3-oxazin-4-one
CID 23552400
methane;1-methyl-3-methylidenepyrrolidine-2,5-dione;1-methylpyrrole-2,5-dione
CID 162091684
7-(1-chloro-2,2-dimethylbutyl)-2-methyl-4H-isoquinoline-1,3-dione
CID 63105791
5-tert-butyl-4-fluoro-1-methyl-3H-indol-2-one
CID 170677197
1,2-dimethylpyrazolidine-3,5-dione
CID 12706755

Frequently Asked Questions

What is the IUPAC name of 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione?
The IUPAC name of 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione (CID 23592085) is 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione.
What is the SMILES notation for 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione?
The canonical SMILES for 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione is CN1C(=O)CC(C(C)(C)C)=C(C(C)(C)C)C1=O.
What is the InChIKey of 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione?
The InChIKey is MCPHYKQAUVLHLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO2/c1-13(2,3)9-8-10(16)15(7)12(17)11(9)14(4,5)6/h8H2,1-7H3.
What are the key properties of 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione?
4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione has a molecular weight of 237.34 g/mol, XLogP of 2.76, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-ditert-butyl-1-methyl-3H-pyridine-2,6-dione is sourced from PubChem (CID 23592085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).