5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one

C16H27NO — CID 175267375

IUPAC5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C)c(CC)c1CCCC
InChIInChI=1S/C16H27NO/c1-5-8-10-14-13(7-3)12(4)16(18)17-15(14)11-9-6-2/h5-11H2,1-4H3,(H,17,18)
InChIKeyRTJCVDOEEZRGEL-UHFFFAOYSA-N
MW249.40 g/mol
LogP3.93
Rot. Bonds7

About 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one

5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one (PubChem CID 175267375) has the molecular formula C16H27NO and a molecular weight of 249.40 g/mol. Its IUPAC name is 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one
PubChem CID175267375
Molecular FormulaC16H27NO
Molecular Weight249.40 g/mol
Exact Mass249.21
IUPAC Name5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one
SMILESCCCCc1[nH]c(=O)c(C)c(CC)c1CCCC
InChIInChI=1S/C16H27NO/c1-5-8-10-14-13(7-3)12(4)16(18)17-15(14)11-9-6-2/h5-11H2,1-4H3,(H,17,18)
InChIKeyRTJCVDOEEZRGEL-UHFFFAOYSA-N
XLogP3.93
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one?
The IUPAC name of 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one (CID 175267375) is 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one.
What is the SMILES notation for 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one?
The canonical SMILES for 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one is CCCCc1[nH]c(=O)c(C)c(CC)c1CCCC.
What is the InChIKey of 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one?
The InChIKey is RTJCVDOEEZRGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27NO/c1-5-8-10-14-13(7-3)12(4)16(18)17-15(14)11-9-6-2/h5-11H2,1-4H3,(H,17,18).
What are the key properties of 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one?
5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one has a molecular weight of 249.40 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dibutyl-4-ethyl-3-methyl-1H-pyridin-2-one is sourced from PubChem (CID 175267375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).