3-oct-1-en-4-ylpiperidin-4-one

C13H23NO — CID 69353919

IUPAC3-oct-1-en-4-ylpiperidin-4-one
SMILESC=CCC(CCCC)C1CNCCC1=O
InChIInChI=1S/C13H23NO/c1-3-5-7-11(6-4-2)12-10-14-9-8-13(12)15/h4,11-12,14H,2-3,5-10H2,1H3
InChIKeyPJUONXNOCJSCLH-UHFFFAOYSA-N
MW209.33 g/mol
LogP2.55
Rot. Bonds6

About 3-oct-1-en-4-ylpiperidin-4-one

3-oct-1-en-4-ylpiperidin-4-one (PubChem CID 69353919) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 3-oct-1-en-4-ylpiperidin-4-one.

Molecular Properties

Compound Name3-oct-1-en-4-ylpiperidin-4-one
PubChem CID69353919
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name3-oct-1-en-4-ylpiperidin-4-one
SMILESC=CCC(CCCC)C1CNCCC1=O
InChIInChI=1S/C13H23NO/c1-3-5-7-11(6-4-2)12-10-14-9-8-13(12)15/h4,11-12,14H,2-3,5-10H2,1H3
InChIKeyPJUONXNOCJSCLH-UHFFFAOYSA-N
XLogP2.55
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 52.55
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 3-oct-1-en-4-ylpiperidin-4-one?
The IUPAC name of 3-oct-1-en-4-ylpiperidin-4-one (CID 69353919) is 3-oct-1-en-4-ylpiperidin-4-one.
What is the SMILES notation for 3-oct-1-en-4-ylpiperidin-4-one?
The canonical SMILES for 3-oct-1-en-4-ylpiperidin-4-one is C=CCC(CCCC)C1CNCCC1=O.
What is the InChIKey of 3-oct-1-en-4-ylpiperidin-4-one?
The InChIKey is PJUONXNOCJSCLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-7-11(6-4-2)12-10-14-9-8-13(12)15/h4,11-12,14H,2-3,5-10H2,1H3.
What are the key properties of 3-oct-1-en-4-ylpiperidin-4-one?
3-oct-1-en-4-ylpiperidin-4-one has a molecular weight of 209.33 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oct-1-en-4-ylpiperidin-4-one is sourced from PubChem (CID 69353919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).