5,6-ditert-butyl-3H-pyridin-2-one

C13H21NO — CID 58233745

IUPAC5,6-ditert-butyl-3H-pyridin-2-one
SMILESCC(C)(C)C1=CCC(=O)N=C1C(C)(C)C
InChIInChI=1S/C13H21NO/c1-12(2,3)9-7-8-10(15)14-11(9)13(4,5)6/h7H,8H2,1-6H3
InChIKeyVHNZVLHSLAJYPA-UHFFFAOYSA-N
MW207.32 g/mol
LogP3.38
Rot. Bonds

About 5,6-ditert-butyl-3H-pyridin-2-one

5,6-ditert-butyl-3H-pyridin-2-one (PubChem CID 58233745) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 5,6-ditert-butyl-3H-pyridin-2-one.

Molecular Properties

Compound Name5,6-ditert-butyl-3H-pyridin-2-one
PubChem CID58233745
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name5,6-ditert-butyl-3H-pyridin-2-one
SMILESCC(C)(C)C1=CCC(=O)N=C1C(C)(C)C
InChIInChI=1S/C13H21NO/c1-12(2,3)9-7-8-10(15)14-11(9)13(4,5)6/h7H,8H2,1-6H3
InChIKeyVHNZVLHSLAJYPA-UHFFFAOYSA-N
XLogP3.38
TPSA29.43 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-ditert-butyl-3H-pyridin-2-one?
The IUPAC name of 5,6-ditert-butyl-3H-pyridin-2-one (CID 58233745) is 5,6-ditert-butyl-3H-pyridin-2-one.
What is the SMILES notation for 5,6-ditert-butyl-3H-pyridin-2-one?
The canonical SMILES for 5,6-ditert-butyl-3H-pyridin-2-one is CC(C)(C)C1=CCC(=O)N=C1C(C)(C)C.
What is the InChIKey of 5,6-ditert-butyl-3H-pyridin-2-one?
The InChIKey is VHNZVLHSLAJYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-12(2,3)9-7-8-10(15)14-11(9)13(4,5)6/h7H,8H2,1-6H3.
What are the key properties of 5,6-ditert-butyl-3H-pyridin-2-one?
5,6-ditert-butyl-3H-pyridin-2-one has a molecular weight of 207.32 g/mol, XLogP of 3.38, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-ditert-butyl-3H-pyridin-2-one is sourced from PubChem (CID 58233745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).