5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one

C14H23NO — CID 175267358

IUPAC5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one
SMILESCCCCc1c[nH]c(=O)c(CCC)c1CC
InChIInChI=1S/C14H23NO/c1-4-7-9-11-10-15-14(16)13(8-5-2)12(11)6-3/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyOURCVLXXJXBIDF-UHFFFAOYSA-N
MW221.34 g/mol
LogP3.23
Rot. Bonds6

About 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one

5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one (PubChem CID 175267358) has the molecular formula C14H23NO and a molecular weight of 221.34 g/mol. Its IUPAC name is 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one
PubChem CID175267358
Molecular FormulaC14H23NO
Molecular Weight221.34 g/mol
Exact Mass221.18
IUPAC Name5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one
SMILESCCCCc1c[nH]c(=O)c(CCC)c1CC
InChIInChI=1S/C14H23NO/c1-4-7-9-11-10-15-14(16)13(8-5-2)12(11)6-3/h10H,4-9H2,1-3H3,(H,15,16)
InChIKeyOURCVLXXJXBIDF-UHFFFAOYSA-N
XLogP3.23
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.34
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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3-amino-7-butyl-1,5-dihydropyrazolo[4,5-c]pyridin-4-one
CID 137095242
1,3-dibutyl-2-ethylbenzene
CID 22713046
5-ethyl-4-propyl-1H-pyridin-2-one
CID 176702886
5-butyl-2-methyl-1H-pyrimidin-6-one
CID 154318485
1-ethyl-3-pentyl-2-propylbenzene
CID 173025863
1,2,3,4-tetrabutyl-5-methylbenzene
CID 54311592
1-butyl-5-ethyl-2,4-dimethylbenzene
CID 155667588
2,3-dibutyl-4,5-diethylphenol
CID 139832191
1,3,4-tributyl-2,5-dimethylbenzene
CID 150402952

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one?
The IUPAC name of 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one (CID 175267358) is 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one.
What is the SMILES notation for 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one?
The canonical SMILES for 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one is CCCCc1c[nH]c(=O)c(CCC)c1CC.
What is the InChIKey of 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one?
The InChIKey is OURCVLXXJXBIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO/c1-4-7-9-11-10-15-14(16)13(8-5-2)12(11)6-3/h10H,4-9H2,1-3H3,(H,15,16).
What are the key properties of 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one?
5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one has a molecular weight of 221.34 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-ethyl-3-propyl-1H-pyridin-2-one is sourced from PubChem (CID 175267358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).