3-but-1-enyl-1H-pyridin-2-one

C9H11NO — CID 91431881

IUPAC3-but-1-enyl-1H-pyridin-2-one
SMILESCCC=Cc1ccc[nH]c1=O
InChIInChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-10-9(8)11/h3-7H,2H2,1H3,(H,10,11)
InChIKeyQAOXUAXCUOIUFD-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.80
Rot. Bonds2

About 3-but-1-enyl-1H-pyridin-2-one

3-but-1-enyl-1H-pyridin-2-one (PubChem CID 91431881) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 3-but-1-enyl-1H-pyridin-2-one.

Molecular Properties

Compound Name3-but-1-enyl-1H-pyridin-2-one
PubChem CID91431881
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name3-but-1-enyl-1H-pyridin-2-one
SMILESCCC=Cc1ccc[nH]c1=O
InChIInChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-10-9(8)11/h3-7H,2H2,1H3,(H,10,11)
InChIKeyQAOXUAXCUOIUFD-UHFFFAOYSA-N
XLogP1.80
TPSA32.86 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-but-1-enyl-1H-pyridin-2-one?
The IUPAC name of 3-but-1-enyl-1H-pyridin-2-one (CID 91431881) is 3-but-1-enyl-1H-pyridin-2-one.
What is the SMILES notation for 3-but-1-enyl-1H-pyridin-2-one?
The canonical SMILES for 3-but-1-enyl-1H-pyridin-2-one is CCC=Cc1ccc[nH]c1=O.
What is the InChIKey of 3-but-1-enyl-1H-pyridin-2-one?
The InChIKey is QAOXUAXCUOIUFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-2-3-5-8-6-4-7-10-9(8)11/h3-7H,2H2,1H3,(H,10,11).
What are the key properties of 3-but-1-enyl-1H-pyridin-2-one?
3-but-1-enyl-1H-pyridin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.80, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enyl-1H-pyridin-2-one is sourced from PubChem (CID 91431881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).