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

C13H23NO — CID 58772492

IUPAC1,4-ditert-butyl-3,4-dihydropyridin-2-one
SMILESCC(C)(C)C1C=CN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H23NO/c1-12(2,3)10-7-8-14(11(15)9-10)13(4,5)6/h7-8,10H,9H2,1-6H3
InChIKeyHGOVJECBBHLYLG-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.19
Rot. Bonds

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

1,4-ditert-butyl-3,4-dihydropyridin-2-one (PubChem CID 58772492) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 1,4-ditert-butyl-3,4-dihydropyridin-2-one.

Molecular Properties

Compound Name1,4-ditert-butyl-3,4-dihydropyridin-2-one
PubChem CID58772492
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name1,4-ditert-butyl-3,4-dihydropyridin-2-one
SMILESCC(C)(C)C1C=CN(C(C)(C)C)C(=O)C1
InChIInChI=1S/C13H23NO/c1-12(2,3)10-7-8-14(11(15)9-10)13(4,5)6/h7-8,10H,9H2,1-6H3
InChIKeyHGOVJECBBHLYLG-UHFFFAOYSA-N
XLogP3.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,4-ditert-butyl-3,4-dihydropyridin-2-one?
The IUPAC name of 1,4-ditert-butyl-3,4-dihydropyridin-2-one (CID 58772492) is 1,4-ditert-butyl-3,4-dihydropyridin-2-one.
What is the SMILES notation for 1,4-ditert-butyl-3,4-dihydropyridin-2-one?
The canonical SMILES for 1,4-ditert-butyl-3,4-dihydropyridin-2-one is CC(C)(C)C1C=CN(C(C)(C)C)C(=O)C1.
What is the InChIKey of 1,4-ditert-butyl-3,4-dihydropyridin-2-one?
The InChIKey is HGOVJECBBHLYLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-12(2,3)10-7-8-14(11(15)9-10)13(4,5)6/h7-8,10H,9H2,1-6H3.
What are the key properties of 1,4-ditert-butyl-3,4-dihydropyridin-2-one?
1,4-ditert-butyl-3,4-dihydropyridin-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-ditert-butyl-3,4-dihydropyridin-2-one is sourced from PubChem (CID 58772492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).