1,3-dibutyl-6-methylpyridin-2-one

C14H23NO — CID 22266491

IUPAC1,3-dibutyl-6-methylpyridin-2-one
SMILESCCCCc1ccc(C)n(CCCC)c1=O
InChIInChI=1S/C14H23NO/c1-4-6-8-13-10-9-12(3)15(14(13)16)11-7-5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyWFAWXSFHQOIUMH-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.30
Rot. Bonds6

About 1,3-dibutyl-6-methylpyridin-2-one

1,3-dibutyl-6-methylpyridin-2-one (PubChem CID 22266491) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 1,3-dibutyl-6-methylpyridin-2-one.

Molecular Properties

Compound Name1,3-dibutyl-6-methylpyridin-2-one
PubChem CID22266491
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name1,3-dibutyl-6-methylpyridin-2-one
SMILESCCCCc1ccc(C)n(CCCC)c1=O
InChIInChI=1S/C14H23NO/c1-4-6-8-13-10-9-12(3)15(14(13)16)11-7-5-2/h9-10H,4-8,11H2,1-3H3
InChIKeyWFAWXSFHQOIUMH-UHFFFAOYSA-N
XLogP3.30
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3-dibutyl-6-methylpyridin-2-one?
The IUPAC name of 1,3-dibutyl-6-methylpyridin-2-one (CID 22266491) is 1,3-dibutyl-6-methylpyridin-2-one.
What is the SMILES notation for 1,3-dibutyl-6-methylpyridin-2-one?
The canonical SMILES for 1,3-dibutyl-6-methylpyridin-2-one is CCCCc1ccc(C)n(CCCC)c1=O.
What is the InChIKey of 1,3-dibutyl-6-methylpyridin-2-one?
The InChIKey is WFAWXSFHQOIUMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-6-8-13-10-9-12(3)15(14(13)16)11-7-5-2/h9-10H,4-8,11H2,1-3H3.
What are the key properties of 1,3-dibutyl-6-methylpyridin-2-one?
1,3-dibutyl-6-methylpyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.30, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dibutyl-6-methylpyridin-2-one is sourced from PubChem (CID 22266491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).