3-butanoyl-1H-pyridin-2-one

C9H11NO2 — CID 59185312

IUPAC3-butanoyl-1H-pyridin-2-one
SMILESCCCC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C9H11NO2/c1-2-4-8(11)7-5-3-6-10-9(7)12/h3,5-6H,2,4H2,1H3,(H,10,12)
InChIKeyVSVWNTTULGZYMW-UHFFFAOYSA-N
MW165.19 g/mol
LogP1.36
Rot. Bonds3

About 3-butanoyl-1H-pyridin-2-one

3-butanoyl-1H-pyridin-2-one (PubChem CID 59185312) has the molecular formula C9H11NO2 and a molecular weight of 165.19 g/mol. Its IUPAC name is 3-butanoyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-butanoyl-1H-pyridin-2-one
PubChem CID59185312
Molecular FormulaC9H11NO2
Molecular Weight165.19 g/mol
Exact Mass165.08
IUPAC Name3-butanoyl-1H-pyridin-2-one
SMILESCCCC(=O)c1ccc[nH]c1=O
InChIInChI=1S/C9H11NO2/c1-2-4-8(11)7-5-3-6-10-9(7)12/h3,5-6H,2,4H2,1H3,(H,10,12)
InChIKeyVSVWNTTULGZYMW-UHFFFAOYSA-N
XLogP1.36
TPSA49.93 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.19
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-butanoyl-1H-pyridin-2-one?
The IUPAC name of 3-butanoyl-1H-pyridin-2-one (CID 59185312) is 3-butanoyl-1H-pyridin-2-one.
What is the SMILES notation for 3-butanoyl-1H-pyridin-2-one?
The canonical SMILES for 3-butanoyl-1H-pyridin-2-one is CCCC(=O)c1ccc[nH]c1=O.
What is the InChIKey of 3-butanoyl-1H-pyridin-2-one?
The InChIKey is VSVWNTTULGZYMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO2/c1-2-4-8(11)7-5-3-6-10-9(7)12/h3,5-6H,2,4H2,1H3,(H,10,12).
What are the key properties of 3-butanoyl-1H-pyridin-2-one?
3-butanoyl-1H-pyridin-2-one has a molecular weight of 165.19 g/mol, XLogP of 1.36, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butanoyl-1H-pyridin-2-one is sourced from PubChem (CID 59185312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).