5-butan-2-yl-1H-pyridin-2-one

C9H13NO — CID 13414035

IUPAC5-butan-2-yl-1H-pyridin-2-one
SMILESCCC(C)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H13NO/c1-3-7(2)8-4-5-9(11)10-6-8/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyURJCXXHOPXMGRM-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.89
Rot. Bonds2

About 5-butan-2-yl-1H-pyridin-2-one

5-butan-2-yl-1H-pyridin-2-one (PubChem CID 13414035) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-butan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name5-butan-2-yl-1H-pyridin-2-one
PubChem CID13414035
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name5-butan-2-yl-1H-pyridin-2-one
SMILESCCC(C)c1ccc(=O)[nH]c1
InChIInChI=1S/C9H13NO/c1-3-7(2)8-4-5-9(11)10-6-8/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyURJCXXHOPXMGRM-UHFFFAOYSA-N
XLogP1.89
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-butan-2-yl-1H-pyridin-2-one?
The IUPAC name of 5-butan-2-yl-1H-pyridin-2-one (CID 13414035) is 5-butan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 5-butan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 5-butan-2-yl-1H-pyridin-2-one is CCC(C)c1ccc(=O)[nH]c1.
What is the InChIKey of 5-butan-2-yl-1H-pyridin-2-one?
The InChIKey is URJCXXHOPXMGRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7(2)8-4-5-9(11)10-6-8/h4-7H,3H2,1-2H3,(H,10,11).
What are the key properties of 5-butan-2-yl-1H-pyridin-2-one?
5-butan-2-yl-1H-pyridin-2-one has a molecular weight of 151.21 g/mol, XLogP of 1.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 13414035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).