3-acetyl-6-methyl-1-nonylpyridin-2-one

C17H27NO2 — CID 82064801

IUPAC3-acetyl-6-methyl-1-nonylpyridin-2-one
SMILESCCCCCCCCCn1c(C)ccc(C(C)=O)c1=O
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-9-10-13-18-14(2)11-12-16(15(3)19)17(18)20/h11-12H,4-10,13H2,1-3H3
InChIKeySSXSPMCVBMOZJS-UHFFFAOYSA-N
MW277.41 g/mol
LogP4.11
Rot. Bonds9

About 3-acetyl-6-methyl-1-nonylpyridin-2-one

3-acetyl-6-methyl-1-nonylpyridin-2-one (PubChem CID 82064801) has the molecular formula C17H27NO2 and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-acetyl-6-methyl-1-nonylpyridin-2-one.

Molecular Properties

Compound Name3-acetyl-6-methyl-1-nonylpyridin-2-one
PubChem CID82064801
Molecular FormulaC17H27NO2
Molecular Weight277.41 g/mol
Exact Mass277.20
IUPAC Name3-acetyl-6-methyl-1-nonylpyridin-2-one
SMILESCCCCCCCCCn1c(C)ccc(C(C)=O)c1=O
InChIInChI=1S/C17H27NO2/c1-4-5-6-7-8-9-10-13-18-14(2)11-12-16(15(3)19)17(18)20/h11-12H,4-10,13H2,1-3H3
InChIKeySSXSPMCVBMOZJS-UHFFFAOYSA-N
XLogP4.11
TPSA39.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 54.11
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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Frequently Asked Questions

What is the IUPAC name of 3-acetyl-6-methyl-1-nonylpyridin-2-one?
The IUPAC name of 3-acetyl-6-methyl-1-nonylpyridin-2-one (CID 82064801) is 3-acetyl-6-methyl-1-nonylpyridin-2-one.
What is the SMILES notation for 3-acetyl-6-methyl-1-nonylpyridin-2-one?
The canonical SMILES for 3-acetyl-6-methyl-1-nonylpyridin-2-one is CCCCCCCCCn1c(C)ccc(C(C)=O)c1=O.
What is the InChIKey of 3-acetyl-6-methyl-1-nonylpyridin-2-one?
The InChIKey is SSXSPMCVBMOZJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2/c1-4-5-6-7-8-9-10-13-18-14(2)11-12-16(15(3)19)17(18)20/h11-12H,4-10,13H2,1-3H3.
What are the key properties of 3-acetyl-6-methyl-1-nonylpyridin-2-one?
3-acetyl-6-methyl-1-nonylpyridin-2-one has a molecular weight of 277.41 g/mol, XLogP of 4.11, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-6-methyl-1-nonylpyridin-2-one is sourced from PubChem (CID 82064801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).