1-pentan-3-ylpyridin-2-one

C10H15NO — CID 90220799

IUPAC1-pentan-3-ylpyridin-2-one
SMILESCCC(CC)n1ccccc1=O
InChIInChI=1S/C10H15NO/c1-3-9(4-2)11-8-6-5-7-10(11)12/h5-9H,3-4H2,1-2H3
InChIKeyUEKRTCKKOLWFHQ-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.21
Rot. Bonds3

About 1-pentan-3-ylpyridin-2-one

1-pentan-3-ylpyridin-2-one (PubChem CID 90220799) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 1-pentan-3-ylpyridin-2-one.

Molecular Properties

Compound Name1-pentan-3-ylpyridin-2-one
PubChem CID90220799
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name1-pentan-3-ylpyridin-2-one
SMILESCCC(CC)n1ccccc1=O
InChIInChI=1S/C10H15NO/c1-3-9(4-2)11-8-6-5-7-10(11)12/h5-9H,3-4H2,1-2H3
InChIKeyUEKRTCKKOLWFHQ-UHFFFAOYSA-N
XLogP2.21
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-pentan-3-ylpyridin-2-one?
The IUPAC name of 1-pentan-3-ylpyridin-2-one (CID 90220799) is 1-pentan-3-ylpyridin-2-one.
What is the SMILES notation for 1-pentan-3-ylpyridin-2-one?
The canonical SMILES for 1-pentan-3-ylpyridin-2-one is CCC(CC)n1ccccc1=O.
What is the InChIKey of 1-pentan-3-ylpyridin-2-one?
The InChIKey is UEKRTCKKOLWFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-9(4-2)11-8-6-5-7-10(11)12/h5-9H,3-4H2,1-2H3.
What are the key properties of 1-pentan-3-ylpyridin-2-one?
1-pentan-3-ylpyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pentan-3-ylpyridin-2-one is sourced from PubChem (CID 90220799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).