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

C15H27NO — CID 20871964

IUPAC5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one
SMILESCC1CN(C)C(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C15H27NO/c1-10-9-16(8)13(15(5,6)7)11(12(10)17)14(2,3)4/h10H,9H2,1-8H3
InChIKeyWZQLPVSJZKGVNB-UHFFFAOYSA-N
MW237.39 g/mol
LogP3.48
Rot. Bonds

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

5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one (PubChem CID 20871964) has the molecular formula C15H27NO and a molecular weight of 237.39 g/mol. Its IUPAC name is 5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one.

Molecular Properties

Compound Name5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one
PubChem CID20871964
Molecular FormulaC15H27NO
Molecular Weight237.39 g/mol
Exact Mass237.21
IUPAC Name5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one
SMILESCC1CN(C)C(C(C)(C)C)=C(C(C)(C)C)C1=O
InChIInChI=1S/C15H27NO/c1-10-9-16(8)13(15(5,6)7)11(12(10)17)14(2,3)4/h10H,9H2,1-8H3
InChIKeyWZQLPVSJZKGVNB-UHFFFAOYSA-N
XLogP3.48
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.39
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one?
The IUPAC name of 5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one (CID 20871964) is 5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one.
What is the SMILES notation for 5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one?
The canonical SMILES for 5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one is CC1CN(C)C(C(C)(C)C)=C(C(C)(C)C)C1=O.
What is the InChIKey of 5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one?
The InChIKey is WZQLPVSJZKGVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27NO/c1-10-9-16(8)13(15(5,6)7)11(12(10)17)14(2,3)4/h10H,9H2,1-8H3.
What are the key properties of 5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one?
5,6-ditert-butyl-1,3-dimethyl-2,3-dihydropyridin-4-one has a molecular weight of 237.39 g/mol, XLogP of 3.48, 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-dimethyl-2,3-dihydropyridin-4-one is sourced from PubChem (CID 20871964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).