(2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one

C10H15NO — CID 118887081

IUPAC(2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one
SMILESC=C[C@@H]1CC(=O)C[C@H](C=C)N1C
InChIInChI=1S/C10H15NO/c1-4-8-6-10(12)7-9(5-2)11(8)3/h4-5,8-9H,1-2,6-7H2,3H3/t8-,9+
InChIKeyXWXHEVZTBJCDNO-DTORHVGOSA-N
MW165.24 g/mol
LogP1.39
Rot. Bonds2

About (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one

(2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one (PubChem CID 118887081) has the molecular formula C10H15NO and a molecular weight of 165.24 g/mol. Its IUPAC name is (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one.

Molecular Properties

Compound Name(2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one
PubChem CID118887081
Molecular FormulaC10H15NO
Molecular Weight165.24 g/mol
Exact Mass165.12
IUPAC Name(2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one
SMILESC=C[C@@H]1CC(=O)C[C@H](C=C)N1C
InChIInChI=1S/C10H15NO/c1-4-8-6-10(12)7-9(5-2)11(8)3/h4-5,8-9H,1-2,6-7H2,3H3/t8-,9+
InChIKeyXWXHEVZTBJCDNO-DTORHVGOSA-N
XLogP1.39
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.24
LogP ≤ 51.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-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 (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one?
The IUPAC name of (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one (CID 118887081) is (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one.
What is the SMILES notation for (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one?
The canonical SMILES for (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one is C=C[C@@H]1CC(=O)C[C@H](C=C)N1C.
What is the InChIKey of (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one?
The InChIKey is XWXHEVZTBJCDNO-DTORHVGOSA-N. The full InChI is InChI=1S/C10H15NO/c1-4-8-6-10(12)7-9(5-2)11(8)3/h4-5,8-9H,1-2,6-7H2,3H3/t8-,9+.
What are the key properties of (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one?
(2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one has a molecular weight of 165.24 g/mol, XLogP of 1.39, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,6S)-2,6-bis(ethenyl)-1-methylpiperidin-4-one is sourced from PubChem (CID 118887081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).