1-(3-methyl-2-pyridinyl)decan-2-one

C16H25NO — CID 66447638

IUPAC1-(3-methyl-2-pyridinyl)decan-2-one
SMILESCCCCCCCCC(=O)Cc1ncccc1C
InChIInChI=1S/C16H25NO/c1-3-4-5-6-7-8-11-15(18)13-16-14(2)10-9-12-17-16/h9-10,12H,3-8,11,13H2,1-2H3
InChIKeyWEQHOFOLUZOTDC-UHFFFAOYSA-N
MW247.38 g/mol
LogP4.25
Rot. Bonds9

About 1-(3-methyl-2-pyridinyl)decan-2-one

1-(3-methyl-2-pyridinyl)decan-2-one (PubChem CID 66447638) has the molecular formula C16H25NO and a molecular weight of 247.38 g/mol. Its IUPAC name is 1-(3-methyl-2-pyridinyl)decan-2-one.

Molecular Properties

Compound Name1-(3-methyl-2-pyridinyl)decan-2-one
PubChem CID66447638
Molecular FormulaC16H25NO
Molecular Weight247.38 g/mol
Exact Mass247.19
IUPAC Name1-(3-methyl-2-pyridinyl)decan-2-one
SMILESCCCCCCCCC(=O)Cc1ncccc1C
InChIInChI=1S/C16H25NO/c1-3-4-5-6-7-8-11-15(18)13-16-14(2)10-9-12-17-16/h9-10,12H,3-8,11,13H2,1-2H3
InChIKeyWEQHOFOLUZOTDC-UHFFFAOYSA-N
XLogP4.25
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 ≤ 54.25
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

1-(2,6-dimethylphenyl)undecan-2-one
CID 115792441
1-pyridin-2-yldecan-2-one
CID 62622628
1-(2-methylphenyl)heptan-2-one
CID 61055450
2-hexyl-3-methylpyridine;methanesulfonic acid
CID 174850851
methyl 2-(3-methyl-2-pyridinyl)acetate
CID 59570556
2-(3-methyl-2-pyridinyl)-1-pyrimidin-2-ylethanone
CID 114552859
4-(3-methylphenyl)-1-(3-methyl-2-pyridinyl)butan-2-one
CID 66448415
azane;2-butyl-3-methylpyridine
CID 175305988
1-pyridin-3-yldecan-2-one
CID 62621024
1-(3-hydroxy-2-pyridinyl)nonan-1-one
CID 137395419
N-methyl-2-(3-methyl-2-pyridinyl)acetamide
CID 13400651
1,1,1-trifluoro-3-(3-methyl-2-pyridinyl)propan-2-one
CID 15357183

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-2-pyridinyl)decan-2-one?
The IUPAC name of 1-(3-methyl-2-pyridinyl)decan-2-one (CID 66447638) is 1-(3-methyl-2-pyridinyl)decan-2-one.
What is the SMILES notation for 1-(3-methyl-2-pyridinyl)decan-2-one?
The canonical SMILES for 1-(3-methyl-2-pyridinyl)decan-2-one is CCCCCCCCC(=O)Cc1ncccc1C.
What is the InChIKey of 1-(3-methyl-2-pyridinyl)decan-2-one?
The InChIKey is WEQHOFOLUZOTDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25NO/c1-3-4-5-6-7-8-11-15(18)13-16-14(2)10-9-12-17-16/h9-10,12H,3-8,11,13H2,1-2H3.
What are the key properties of 1-(3-methyl-2-pyridinyl)decan-2-one?
1-(3-methyl-2-pyridinyl)decan-2-one has a molecular weight of 247.38 g/mol, XLogP of 4.25, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-2-pyridinyl)decan-2-one is sourced from PubChem (CID 66447638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).