6-butyl-1H-pyridin-2-one

C9H13NO — CID 23352100

IUPAC6-butyl-1H-pyridin-2-one
SMILESCCCCc1cccc(=O)[nH]1
InChIInChI=1S/C9H13NO/c1-2-3-5-8-6-4-7-9(11)10-8/h4,6-7H,2-3,5H2,1H3,(H,10,11)
InChIKeyKPOKLVPNESGKHT-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.72
Rot. Bonds3

About 6-butyl-1H-pyridin-2-one

6-butyl-1H-pyridin-2-one (PubChem CID 23352100) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 6-butyl-1H-pyridin-2-one.

Molecular Properties

Compound Name6-butyl-1H-pyridin-2-one
PubChem CID23352100
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name6-butyl-1H-pyridin-2-one
SMILESCCCCc1cccc(=O)[nH]1
InChIInChI=1S/C9H13NO/c1-2-3-5-8-6-4-7-9(11)10-8/h4,6-7H,2-3,5H2,1H3,(H,10,11)
InChIKeyKPOKLVPNESGKHT-UHFFFAOYSA-N
XLogP1.72
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-butyl-1H-pyridin-2-one?
The IUPAC name of 6-butyl-1H-pyridin-2-one (CID 23352100) is 6-butyl-1H-pyridin-2-one.
What is the SMILES notation for 6-butyl-1H-pyridin-2-one?
The canonical SMILES for 6-butyl-1H-pyridin-2-one is CCCCc1cccc(=O)[nH]1.
What is the InChIKey of 6-butyl-1H-pyridin-2-one?
The InChIKey is KPOKLVPNESGKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-2-3-5-8-6-4-7-9(11)10-8/h4,6-7H,2-3,5H2,1H3,(H,10,11).
What are the key properties of 6-butyl-1H-pyridin-2-one?
6-butyl-1H-pyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1H-pyridin-2-one is sourced from PubChem (CID 23352100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).