1,4-dimethyl-3-octanoylpyridin-2-one

C15H23NO2 — CID 150407905

IUPAC1,4-dimethyl-3-octanoylpyridin-2-one
SMILESCCCCCCCC(=O)c1c(C)ccn(C)c1=O
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-8-9-13(17)14-12(2)10-11-16(3)15(14)18/h10-11H,4-9H2,1-3H3
InChIKeyHFDTZACTEJNRMF-UHFFFAOYSA-N
MW249.35 g/mol
LogP3.24
Rot. Bonds7

About 1,4-dimethyl-3-octanoylpyridin-2-one

1,4-dimethyl-3-octanoylpyridin-2-one (PubChem CID 150407905) has the molecular formula C15H23NO2 and a molecular weight of 249.35 g/mol. Its IUPAC name is 1,4-dimethyl-3-octanoylpyridin-2-one.

Molecular Properties

Compound Name1,4-dimethyl-3-octanoylpyridin-2-one
PubChem CID150407905
Molecular FormulaC15H23NO2
Molecular Weight249.35 g/mol
Exact Mass249.17
IUPAC Name1,4-dimethyl-3-octanoylpyridin-2-one
SMILESCCCCCCCC(=O)c1c(C)ccn(C)c1=O
InChIInChI=1S/C15H23NO2/c1-4-5-6-7-8-9-13(17)14-12(2)10-11-16(3)15(14)18/h10-11H,4-9H2,1-3H3
InChIKeyHFDTZACTEJNRMF-UHFFFAOYSA-N
XLogP3.24
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.35
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2,6-dimethylphenyl)nonan-1-one
CID 114026790
6-hydroxy-1,3-dimethyl-5-octanoylpyrimidine-2,4-dione
CID 136593527
1-(4-tetradecanoylphenyl)tetradecan-1-one
CID 59518381
1-(2,4-dimethyl-1-phenylpyrrol-3-yl)dodecan-1-one
CID 57328201
1-(2,6-dichlorophenyl)heptan-1-one
CID 114966663
1-(2-methylphenyl)undecan-1-one
CID 63409592
2,3-di(octadecanoyl)benzene-1,4-dicarboxamide
CID 174445942
1-(2,6-difluorophenyl)octan-1-one
CID 79522078
1-(2-methylphenyl)nonan-1-one
CID 63409672
1-(3,4-dimethylphenyl)tetradecan-1-one
CID 146006499
1-(3,4-dimethylphenyl)undecan-1-one
CID 114968936
1-(2,6-dimethoxyphenyl)decan-1-one
CID 114966448

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-3-octanoylpyridin-2-one?
The IUPAC name of 1,4-dimethyl-3-octanoylpyridin-2-one (CID 150407905) is 1,4-dimethyl-3-octanoylpyridin-2-one.
What is the SMILES notation for 1,4-dimethyl-3-octanoylpyridin-2-one?
The canonical SMILES for 1,4-dimethyl-3-octanoylpyridin-2-one is CCCCCCCC(=O)c1c(C)ccn(C)c1=O.
What is the InChIKey of 1,4-dimethyl-3-octanoylpyridin-2-one?
The InChIKey is HFDTZACTEJNRMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO2/c1-4-5-6-7-8-9-13(17)14-12(2)10-11-16(3)15(14)18/h10-11H,4-9H2,1-3H3.
What are the key properties of 1,4-dimethyl-3-octanoylpyridin-2-one?
1,4-dimethyl-3-octanoylpyridin-2-one has a molecular weight of 249.35 g/mol, XLogP of 3.24, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-3-octanoylpyridin-2-one is sourced from PubChem (CID 150407905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).