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

C9H13NO — CID 14616757

IUPAC3-butan-2-yl-1H-pyridin-2-one
SMILESCCC(C)c1ccc[nH]c1=O
InChIInChI=1S/C9H13NO/c1-3-7(2)8-5-4-6-10-9(8)11/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyLDNAPZAUTBFOKW-UHFFFAOYSA-N
MW151.21 g/mol
LogP1.89
Rot. Bonds2

About 3-butan-2-yl-1H-pyridin-2-one

3-butan-2-yl-1H-pyridin-2-one (PubChem CID 14616757) has the molecular formula C9H13NO and a molecular weight of 151.21 g/mol. Its IUPAC name is 3-butan-2-yl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-butan-2-yl-1H-pyridin-2-one
PubChem CID14616757
Molecular FormulaC9H13NO
Molecular Weight151.21 g/mol
Exact Mass151.10
IUPAC Name3-butan-2-yl-1H-pyridin-2-one
SMILESCCC(C)c1ccc[nH]c1=O
InChIInChI=1S/C9H13NO/c1-3-7(2)8-5-4-6-10-9(8)11/h4-7H,3H2,1-2H3,(H,10,11)
InChIKeyLDNAPZAUTBFOKW-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 3-butan-2-yl-1H-pyridin-2-one?
The IUPAC name of 3-butan-2-yl-1H-pyridin-2-one (CID 14616757) is 3-butan-2-yl-1H-pyridin-2-one.
What is the SMILES notation for 3-butan-2-yl-1H-pyridin-2-one?
The canonical SMILES for 3-butan-2-yl-1H-pyridin-2-one is CCC(C)c1ccc[nH]c1=O.
What is the InChIKey of 3-butan-2-yl-1H-pyridin-2-one?
The InChIKey is LDNAPZAUTBFOKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO/c1-3-7(2)8-5-4-6-10-9(8)11/h4-7H,3H2,1-2H3,(H,10,11).
What are the key properties of 3-butan-2-yl-1H-pyridin-2-one?
3-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 3-butan-2-yl-1H-pyridin-2-one is sourced from PubChem (CID 14616757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).