3,3-ditert-butyl-1,4-dihydropyridin-2-one

C13H23NO — CID 59555261

IUPAC3,3-ditert-butyl-1,4-dihydropyridin-2-one
SMILESCC(C)(C)C1(C(C)(C)C)CC=CNC1=O
InChIInChI=1S/C13H23NO/c1-11(2,3)13(12(4,5)6)8-7-9-14-10(13)15/h7,9H,8H2,1-6H3,(H,14,15)
InChIKeyUDVNWCLVFKBYSC-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.10
Rot. Bonds

About 3,3-ditert-butyl-1,4-dihydropyridin-2-one

3,3-ditert-butyl-1,4-dihydropyridin-2-one (PubChem CID 59555261) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3,3-ditert-butyl-1,4-dihydropyridin-2-one.

Molecular Properties

Compound Name3,3-ditert-butyl-1,4-dihydropyridin-2-one
PubChem CID59555261
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3,3-ditert-butyl-1,4-dihydropyridin-2-one
SMILESCC(C)(C)C1(C(C)(C)C)CC=CNC1=O
InChIInChI=1S/C13H23NO/c1-11(2,3)13(12(4,5)6)8-7-9-14-10(13)15/h7,9H,8H2,1-6H3,(H,14,15)
InChIKeyUDVNWCLVFKBYSC-UHFFFAOYSA-N
XLogP3.10
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,3-ditert-butyl-1,4-dihydropyridin-2-one?
The IUPAC name of 3,3-ditert-butyl-1,4-dihydropyridin-2-one (CID 59555261) is 3,3-ditert-butyl-1,4-dihydropyridin-2-one.
What is the SMILES notation for 3,3-ditert-butyl-1,4-dihydropyridin-2-one?
The canonical SMILES for 3,3-ditert-butyl-1,4-dihydropyridin-2-one is CC(C)(C)C1(C(C)(C)C)CC=CNC1=O.
What is the InChIKey of 3,3-ditert-butyl-1,4-dihydropyridin-2-one?
The InChIKey is UDVNWCLVFKBYSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-11(2,3)13(12(4,5)6)8-7-9-14-10(13)15/h7,9H,8H2,1-6H3,(H,14,15).
What are the key properties of 3,3-ditert-butyl-1,4-dihydropyridin-2-one?
3,3-ditert-butyl-1,4-dihydropyridin-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.10, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-ditert-butyl-1,4-dihydropyridin-2-one is sourced from PubChem (CID 59555261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).