4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one

C13H23NO — CID 135038598

IUPAC4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one
SMILESCCCCC1=CC(=O)N(C(C)(C)C)CC1
InChIInChI=1S/C13H23NO/c1-5-6-7-11-8-9-14(12(15)10-11)13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyLDCWRKZSZYFIFH-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.13
Rot. Bonds3

About 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one

4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one (PubChem CID 135038598) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one.

Molecular Properties

Compound Name4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one
PubChem CID135038598
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one
SMILESCCCCC1=CC(=O)N(C(C)(C)C)CC1
InChIInChI=1S/C13H23NO/c1-5-6-7-11-8-9-14(12(15)10-11)13(2,3)4/h10H,5-9H2,1-4H3
InChIKeyLDCWRKZSZYFIFH-UHFFFAOYSA-N
XLogP3.13
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one?
The IUPAC name of 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one (CID 135038598) is 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one.
What is the SMILES notation for 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one?
The canonical SMILES for 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one is CCCCC1=CC(=O)N(C(C)(C)C)CC1.
What is the InChIKey of 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one?
The InChIKey is LDCWRKZSZYFIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-5-6-7-11-8-9-14(12(15)10-11)13(2,3)4/h10H,5-9H2,1-4H3.
What are the key properties of 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one?
4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one has a molecular weight of 209.33 g/mol, XLogP of 3.13, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1-tert-butyl-2,3-dihydropyridin-6-one is sourced from PubChem (CID 135038598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).