1-(5-methyl-3-pyridinyl)decan-1-one

C16H25NO — CID 71347088

IUPAC1-(5-methyl-3-pyridinyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cncc(C)c1
InChIInChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-10-16(18)15-11-14(2)12-17-13-15/h11-13H,3-10H2,1-2H3
InChIKeyDDGAOBFOWITDPC-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.71
Rot. Bonds9

About 1-(5-methyl-3-pyridinyl)decan-1-one

1-(5-methyl-3-pyridinyl)decan-1-one (PubChem CID 71347088) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(5-methyl-3-pyridinyl)decan-1-one.

Molecular Properties

Compound Name1-(5-methyl-3-pyridinyl)decan-1-one
PubChem CID71347088
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(5-methyl-3-pyridinyl)decan-1-one
SMILESCCCCCCCCCC(=O)c1cncc(C)c1
InChIInChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-10-16(18)15-11-14(2)12-17-13-15/h11-13H,3-10H2,1-2H3
InChIKeyDDGAOBFOWITDPC-UHFFFAOYSA-N
XLogP4.71
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

Metyrapone
CID 4174
3-Acetylpyridine
CID 9589
4-(Methylnitrosamino)-1-(3-Pyridyl)-1-Butanone
CID 47289
4-Benzoylpyridine
CID 26731
Phenyl-3-pyridinylmethanone
CID 21540
2-Benzoylpyridine
CID 7038
(4-Fluorophenyl)(pyridin-4-yl)methanone
CID 7023019
3-Acetyl-6-methylpyridine
CID 95292
1-(4-Pyridinyl)-1-propanone
CID 74343
5-Methylpyridine-3-carbaldehyde
CID 14141158
Ethanedione, di-3-pyridinyl-
CID 260384
CV 6504
CID 93543

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-3-pyridinyl)decan-1-one?
The IUPAC name of 1-(5-methyl-3-pyridinyl)decan-1-one (CID 71347088) is 1-(5-methyl-3-pyridinyl)decan-1-one.
What is the SMILES notation for 1-(5-methyl-3-pyridinyl)decan-1-one?
The canonical SMILES for 1-(5-methyl-3-pyridinyl)decan-1-one is CCCCCCCCCC(=O)c1cncc(C)c1.
What is the InChIKey of 1-(5-methyl-3-pyridinyl)decan-1-one?
The InChIKey is DDGAOBFOWITDPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-5-6-7-8-9-10-16(18)15-11-14(2)12-17-13-15/h11-13H,3-10H2,1-2H3.
What are the key properties of 1-(5-methyl-3-pyridinyl)decan-1-one?
1-(5-methyl-3-pyridinyl)decan-1-one has a molecular weight of 247.38 g/mol, XLogP of 4.71, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-3-pyridinyl)decan-1-one is sourced from PubChem (CID 71347088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).