5-ethenylpiperidin-3-one

C7H11NO — CID 56972738

IUPAC5-ethenylpiperidin-3-one
SMILESC=CC1CNCC(=O)C1
InChIInChI=1S/C7H11NO/c1-2-6-3-7(9)5-8-4-6/h2,6,8H,1,3-5H2
InChIKeyGAGOOLQYAQOYJU-UHFFFAOYSA-N
MW125.17 g/mol
LogP0.35
Rot. Bonds1

About 5-ethenylpiperidin-3-one

5-ethenylpiperidin-3-one (PubChem CID 56972738) has the molecular formula C7H11NO and a molecular weight of 125.17 g/mol. Its IUPAC name is 5-ethenylpiperidin-3-one.

Molecular Properties

Compound Name5-ethenylpiperidin-3-one
PubChem CID56972738
Molecular FormulaC7H11NO
Molecular Weight125.17 g/mol
Exact Mass125.08
IUPAC Name5-ethenylpiperidin-3-one
SMILESC=CC1CNCC(=O)C1
InChIInChI=1S/C7H11NO/c1-2-6-3-7(9)5-8-4-6/h2,6,8H,1,3-5H2
InChIKeyGAGOOLQYAQOYJU-UHFFFAOYSA-N
XLogP0.35
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.17
LogP ≤ 50.35
H-Bond Donors ≤ 51
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 5-ethenylpiperidin-3-one?
The IUPAC name of 5-ethenylpiperidin-3-one (CID 56972738) is 5-ethenylpiperidin-3-one.
What is the SMILES notation for 5-ethenylpiperidin-3-one?
The canonical SMILES for 5-ethenylpiperidin-3-one is C=CC1CNCC(=O)C1.
What is the InChIKey of 5-ethenylpiperidin-3-one?
The InChIKey is GAGOOLQYAQOYJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11NO/c1-2-6-3-7(9)5-8-4-6/h2,6,8H,1,3-5H2.
What are the key properties of 5-ethenylpiperidin-3-one?
5-ethenylpiperidin-3-one has a molecular weight of 125.17 g/mol, XLogP of 0.35, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylpiperidin-3-one is sourced from PubChem (CID 56972738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).