4-methylidene-1-propan-2-ylpiperidin-2-one

C9H15NO — CID 155478860

IUPAC4-methylidene-1-propan-2-ylpiperidin-2-one
SMILESC=C1CCN(C(C)C)C(=O)C1
InChIInChI=1S/C9H15NO/c1-7(2)10-5-4-8(3)6-9(10)11/h7H,3-6H2,1-2H3
InChIKeyYYAXWIJSZUVUSI-UHFFFAOYSA-N
MW153.22 g/mol
LogP1.57
Rot. Bonds1

About 4-methylidene-1-propan-2-ylpiperidin-2-one

4-methylidene-1-propan-2-ylpiperidin-2-one (PubChem CID 155478860) has the molecular formula C9H15NO and a molecular weight of 153.22 g/mol. Its IUPAC name is 4-methylidene-1-propan-2-ylpiperidin-2-one.

Molecular Properties

Compound Name4-methylidene-1-propan-2-ylpiperidin-2-one
PubChem CID155478860
Molecular FormulaC9H15NO
Molecular Weight153.22 g/mol
Exact Mass153.12
IUPAC Name4-methylidene-1-propan-2-ylpiperidin-2-one
SMILESC=C1CCN(C(C)C)C(=O)C1
InChIInChI=1S/C9H15NO/c1-7(2)10-5-4-8(3)6-9(10)11/h7H,3-6H2,1-2H3
InChIKeyYYAXWIJSZUVUSI-UHFFFAOYSA-N
XLogP1.57
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.22
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 4-methylidene-1-propan-2-ylpiperidin-2-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 4-methylidene-1-propan-2-ylpiperidin-2-one?
The IUPAC name of 4-methylidene-1-propan-2-ylpiperidin-2-one (CID 155478860) is 4-methylidene-1-propan-2-ylpiperidin-2-one.
What is the SMILES notation for 4-methylidene-1-propan-2-ylpiperidin-2-one?
The canonical SMILES for 4-methylidene-1-propan-2-ylpiperidin-2-one is C=C1CCN(C(C)C)C(=O)C1.
What is the InChIKey of 4-methylidene-1-propan-2-ylpiperidin-2-one?
The InChIKey is YYAXWIJSZUVUSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-7(2)10-5-4-8(3)6-9(10)11/h7H,3-6H2,1-2H3.
What are the key properties of 4-methylidene-1-propan-2-ylpiperidin-2-one?
4-methylidene-1-propan-2-ylpiperidin-2-one has a molecular weight of 153.22 g/mol, XLogP of 1.57, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylidene-1-propan-2-ylpiperidin-2-one is sourced from PubChem (CID 155478860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).