1-but-3-en-2-ylpyridin-2-one

C9H11NO — CID 24974754

IUPAC1-but-3-en-2-ylpyridin-2-one
SMILESC=CC(C)n1ccccc1=O
InChIInChI=1S/C9H11NO/c1-3-8(2)10-7-5-4-6-9(10)11/h3-8H,1H2,2H3
InChIKeyRKKPXENDGGJRBX-UHFFFAOYSA-N
MW149.19 g/mol
LogP1.60
Rot. Bonds2

About 1-but-3-en-2-ylpyridin-2-one

1-but-3-en-2-ylpyridin-2-one (PubChem CID 24974754) has the molecular formula C9H11NO and a molecular weight of 149.19 g/mol. Its IUPAC name is 1-but-3-en-2-ylpyridin-2-one.

Molecular Properties

Compound Name1-but-3-en-2-ylpyridin-2-one
PubChem CID24974754
Molecular FormulaC9H11NO
Molecular Weight149.19 g/mol
Exact Mass149.08
IUPAC Name1-but-3-en-2-ylpyridin-2-one
SMILESC=CC(C)n1ccccc1=O
InChIInChI=1S/C9H11NO/c1-3-8(2)10-7-5-4-6-9(10)11/h3-8H,1H2,2H3
InChIKeyRKKPXENDGGJRBX-UHFFFAOYSA-N
XLogP1.60
TPSA22.00 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.19
LogP ≤ 51.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-but-3-en-2-ylpyridin-2-one?
The IUPAC name of 1-but-3-en-2-ylpyridin-2-one (CID 24974754) is 1-but-3-en-2-ylpyridin-2-one.
What is the SMILES notation for 1-but-3-en-2-ylpyridin-2-one?
The canonical SMILES for 1-but-3-en-2-ylpyridin-2-one is C=CC(C)n1ccccc1=O.
What is the InChIKey of 1-but-3-en-2-ylpyridin-2-one?
The InChIKey is RKKPXENDGGJRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO/c1-3-8(2)10-7-5-4-6-9(10)11/h3-8H,1H2,2H3.
What are the key properties of 1-but-3-en-2-ylpyridin-2-one?
1-but-3-en-2-ylpyridin-2-one has a molecular weight of 149.19 g/mol, XLogP of 1.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-but-3-en-2-ylpyridin-2-one is sourced from PubChem (CID 24974754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).