6-pentyl-6-prop-2-enylpiperidin-2-one

C13H23NO — CID 11020129

IUPAC6-pentyl-6-prop-2-enylpiperidin-2-one
SMILESC=CCC1(CCCCC)CCCC(=O)N1
InChIInChI=1S/C13H23NO/c1-3-5-6-10-13(9-4-2)11-7-8-12(15)14-13/h4H,2-3,5-11H2,1H3,(H,14,15)
InChIKeyZPORLHGSDGKAPX-UHFFFAOYSA-N
MW209.33 g/mol
LogP3.18
Rot. Bonds6

About 6-pentyl-6-prop-2-enylpiperidin-2-one

6-pentyl-6-prop-2-enylpiperidin-2-one (PubChem CID 11020129) has the molecular formula C13H23NO and a molecular weight of 209.33 g/mol. Its IUPAC name is 6-pentyl-6-prop-2-enylpiperidin-2-one.

Molecular Properties

Compound Name6-pentyl-6-prop-2-enylpiperidin-2-one
PubChem CID11020129
Molecular FormulaC13H23NO
Molecular Weight209.33 g/mol
Exact Mass209.18
IUPAC Name6-pentyl-6-prop-2-enylpiperidin-2-one
SMILESC=CCC1(CCCCC)CCCC(=O)N1
InChIInChI=1S/C13H23NO/c1-3-5-6-10-13(9-4-2)11-7-8-12(15)14-13/h4H,2-3,5-11H2,1H3,(H,14,15)
InChIKeyZPORLHGSDGKAPX-UHFFFAOYSA-N
XLogP3.18
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.33
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-pentyl-6-prop-2-enylpiperidin-2-one?
The IUPAC name of 6-pentyl-6-prop-2-enylpiperidin-2-one (CID 11020129) is 6-pentyl-6-prop-2-enylpiperidin-2-one.
What is the SMILES notation for 6-pentyl-6-prop-2-enylpiperidin-2-one?
The canonical SMILES for 6-pentyl-6-prop-2-enylpiperidin-2-one is C=CCC1(CCCCC)CCCC(=O)N1.
What is the InChIKey of 6-pentyl-6-prop-2-enylpiperidin-2-one?
The InChIKey is ZPORLHGSDGKAPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23NO/c1-3-5-6-10-13(9-4-2)11-7-8-12(15)14-13/h4H,2-3,5-11H2,1H3,(H,14,15).
What are the key properties of 6-pentyl-6-prop-2-enylpiperidin-2-one?
6-pentyl-6-prop-2-enylpiperidin-2-one has a molecular weight of 209.33 g/mol, XLogP of 3.18, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-pentyl-6-prop-2-enylpiperidin-2-one is sourced from PubChem (CID 11020129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).