1-(5-methyl-2-pyridinyl)nonan-2-one

C15H23NO — CID 66447727

IUPAC1-(5-methyl-2-pyridinyl)nonan-2-one
SMILESCCCCCCCC(=O)Cc1ccc(C)cn1
InChIInChI=1S/C15H23NO/c1-3-4-5-6-7-8-15(17)11-14-10-9-13(2)12-16-14/h9-10,12H,3-8,11H2,1-2H3
InChIKeyJRNNUISVAJSAIV-UHFFFAOYSA-N
MW233.35 g/mol
LogP3.86
Rot. Bonds8

About 1-(5-methyl-2-pyridinyl)nonan-2-one

1-(5-methyl-2-pyridinyl)nonan-2-one (PubChem CID 66447727) has the molecular formula C15H23NO and a molecular weight of 233.35 g/mol. Its IUPAC name is 1-(5-methyl-2-pyridinyl)nonan-2-one.

Molecular Properties

Compound Name1-(5-methyl-2-pyridinyl)nonan-2-one
PubChem CID66447727
Molecular FormulaC15H23NO
Molecular Weight233.35 g/mol
Exact Mass233.18
IUPAC Name1-(5-methyl-2-pyridinyl)nonan-2-one
SMILESCCCCCCCC(=O)Cc1ccc(C)cn1
InChIInChI=1S/C15H23NO/c1-3-4-5-6-7-8-15(17)11-14-10-9-13(2)12-16-14/h9-10,12H,3-8,11H2,1-2H3
InChIKeyJRNNUISVAJSAIV-UHFFFAOYSA-N
XLogP3.86
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.35
LogP ≤ 53.86
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-(5-bromo-2-pyridinyl)decan-2-one
CID 115800946
1-pyridin-2-yldecan-2-one
CID 62622628
1-(4-methylphenyl)undecan-2-one
CID 63409898
7-amino-1-(5-ethyl-2-pyridinyl)heptan-2-one
CID 116549923
N-(5-methyl-2-pyridinyl)hexanamide
CID 5105013
1-(6-methylpyrazin-2-yl)heptan-2-one
CID 121008835
potassium 2-(5-methyl-2-pyridinyl)acetate
CID 118988837
1-(2-methyl-1,3-thiazol-4-yl)tetradecan-2-one
CID 63409908
1-(2-chloro-4-methylphenyl)octan-2-one
CID 106865282
1-(3,5-dimethylphenyl)undecan-2-one
CID 63409539
N-methyl-2-(5-methyl-2-pyridinyl)acetamide
CID 13400653
N-[(5-methyl-2-pyridinyl)methyl]hexan-1-amine
CID 80708681

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-2-pyridinyl)nonan-2-one?
The IUPAC name of 1-(5-methyl-2-pyridinyl)nonan-2-one (CID 66447727) is 1-(5-methyl-2-pyridinyl)nonan-2-one.
What is the SMILES notation for 1-(5-methyl-2-pyridinyl)nonan-2-one?
The canonical SMILES for 1-(5-methyl-2-pyridinyl)nonan-2-one is CCCCCCCC(=O)Cc1ccc(C)cn1.
What is the InChIKey of 1-(5-methyl-2-pyridinyl)nonan-2-one?
The InChIKey is JRNNUISVAJSAIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23NO/c1-3-4-5-6-7-8-15(17)11-14-10-9-13(2)12-16-14/h9-10,12H,3-8,11H2,1-2H3.
What are the key properties of 1-(5-methyl-2-pyridinyl)nonan-2-one?
1-(5-methyl-2-pyridinyl)nonan-2-one has a molecular weight of 233.35 g/mol, XLogP of 3.86, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-2-pyridinyl)nonan-2-one is sourced from PubChem (CID 66447727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).