6-pentan-2-yl-1H-pyridin-2-one

C10H15NO — CID 126658810

IUPAC6-pentan-2-yl-1H-pyridin-2-one
SMILESCCCC(C)c1cccc(=O)[nH]1
InChIInChI=1S/C10H15NO/c1-3-5-8(2)9-6-4-7-10(12)11-9/h4,6-8H,3,5H2,1-2H3,(H,11,12)
InChIKeyQYFCERPAFOOLBB-UHFFFAOYSA-N
MW165.24 g/mol
LogP2.28
Rot. Bonds3

About 6-pentan-2-yl-1H-pyridin-2-one

6-pentan-2-yl-1H-pyridin-2-one (PubChem CID 126658810) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is 6-pentan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-pentan-2-yl-1H-pyridin-2-one
PubChem CID126658810
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name6-pentan-2-yl-1H-pyridin-2-one
SMILESCCCC(C)c1cccc(=O)[nH]1
InChIInChI=1S/C10H15NO/c1-3-5-8(2)9-6-4-7-10(12)11-9/h4,6-8H,3,5H2,1-2H3,(H,11,12)
InChIKeyQYFCERPAFOOLBB-UHFFFAOYSA-N
XLogP2.28
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-pentan-2-yl-1H-pyridin-2-one?
The IUPAC name of 6-pentan-2-yl-1H-pyridin-2-one (CID 126658810) is 6-pentan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 6-pentan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 6-pentan-2-yl-1H-pyridin-2-one is CCCC(C)c1cccc(=O)[nH]1.
What is the InChIKey of 6-pentan-2-yl-1H-pyridin-2-one?
The InChIKey is QYFCERPAFOOLBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO/c1-3-5-8(2)9-6-4-7-10(12)11-9/h4,6-8H,3,5H2,1-2H3,(H,11,12).
What are the key properties of 6-pentan-2-yl-1H-pyridin-2-one?
6-pentan-2-yl-1H-pyridin-2-one has a molecular weight of 165.24 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 126658810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).