1-prop-2-enylpiperidin-4-one

C8H13NO — CID 11344058

IUPAC1-prop-2-enylpiperidin-4-one
SMILESC=CCN1CCC(=O)CC1
InChIInChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h2H,1,3-7H2
InChIKeyIFGPIJRMICXHER-UHFFFAOYSA-N
MW139.20 g/mol
LogP0.84
Rot. Bonds2

About 1-prop-2-enylpiperidin-4-one

1-prop-2-enylpiperidin-4-one (PubChem CID 11344058) has the molecular formula C8H13NO and a molecular weight of 139.20 g/mol. Its IUPAC name is 1-prop-2-enylpiperidin-4-one.

Molecular Properties

Compound Name1-prop-2-enylpiperidin-4-one
PubChem CID11344058
Molecular FormulaC8H13NO
Molecular Weight139.20 g/mol
Exact Mass139.10
IUPAC Name1-prop-2-enylpiperidin-4-one
SMILESC=CCN1CCC(=O)CC1
InChIInChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h2H,1,3-7H2
InChIKeyIFGPIJRMICXHER-UHFFFAOYSA-N
XLogP0.84
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.20
LogP ≤ 50.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 1-prop-2-enylpiperidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylpiperidin-4-one?
The IUPAC name of 1-prop-2-enylpiperidin-4-one (CID 11344058) is 1-prop-2-enylpiperidin-4-one.
What is the SMILES notation for 1-prop-2-enylpiperidin-4-one?
The canonical SMILES for 1-prop-2-enylpiperidin-4-one is C=CCN1CCC(=O)CC1.
What is the InChIKey of 1-prop-2-enylpiperidin-4-one?
The InChIKey is IFGPIJRMICXHER-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO/c1-2-5-9-6-3-8(10)4-7-9/h2H,1,3-7H2.
What are the key properties of 1-prop-2-enylpiperidin-4-one?
1-prop-2-enylpiperidin-4-one has a molecular weight of 139.20 g/mol, XLogP of 0.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylpiperidin-4-one is sourced from PubChem (CID 11344058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).