5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one

C17H25NO3 — CID 176683334

IUPAC5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one
SMILESCC(=O)c1ccc(=O)n(CCCCCCC(=O)C(C)C)c1
InChIInChI=1S/C17H25NO3/c1-13(2)16(20)8-6-4-5-7-11-18-12-15(14(3)19)9-10-17(18)21/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyKZIDHJJJSUDOCN-UHFFFAOYSA-N
MW291.39 g/mol
LogP3.23
Rot. Bonds9

About 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one

5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one (PubChem CID 176683334) has the molecular formula C17H25NO3 and a molecular weight of 291.39 g/mol. Its IUPAC name is 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one.

Molecular Properties

Compound Name5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one
PubChem CID176683334
Molecular FormulaC17H25NO3
Molecular Weight291.39 g/mol
Exact Mass291.18
IUPAC Name5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one
SMILESCC(=O)c1ccc(=O)n(CCCCCCC(=O)C(C)C)c1
InChIInChI=1S/C17H25NO3/c1-13(2)16(20)8-6-4-5-7-11-18-12-15(14(3)19)9-10-17(18)21/h9-10,12-13H,4-8,11H2,1-3H3
InChIKeyKZIDHJJJSUDOCN-UHFFFAOYSA-N
XLogP3.23
TPSA56.14 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one?
The IUPAC name of 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one (CID 176683334) is 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one.
What is the SMILES notation for 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one?
The canonical SMILES for 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one is CC(=O)c1ccc(=O)n(CCCCCCC(=O)C(C)C)c1.
What is the InChIKey of 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one?
The InChIKey is KZIDHJJJSUDOCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25NO3/c1-13(2)16(20)8-6-4-5-7-11-18-12-15(14(3)19)9-10-17(18)21/h9-10,12-13H,4-8,11H2,1-3H3.
What are the key properties of 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one?
5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one has a molecular weight of 291.39 g/mol, XLogP of 3.23, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-1-(8-methyl-7-oxononyl)pyridin-2-one is sourced from PubChem (CID 176683334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).