6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione

C11H17NO3 — CID 56957642

IUPAC6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione
SMILESC=CCC1(CCOC)CC(=O)CC(=O)N1
InChIInChI=1S/C11H17NO3/c1-3-4-11(5-6-15-2)8-9(13)7-10(14)12-11/h3H,1,4-8H2,2H3,(H,12,14)
InChIKeyGPGUTOSRXQMNJH-UHFFFAOYSA-N
MW211.26 g/mol
LogP0.82
Rot. Bonds5

About 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione

6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione (PubChem CID 56957642) has the molecular formula C11H17NO3 and a molecular weight of 211.26 g/mol. Its IUPAC name is 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione.

Molecular Properties

Compound Name6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione
PubChem CID56957642
Molecular FormulaC11H17NO3
Molecular Weight211.26 g/mol
Exact Mass211.12
IUPAC Name6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione
SMILESC=CCC1(CCOC)CC(=O)CC(=O)N1
InChIInChI=1S/C11H17NO3/c1-3-4-11(5-6-15-2)8-9(13)7-10(14)12-11/h3H,1,4-8H2,2H3,(H,12,14)
InChIKeyGPGUTOSRXQMNJH-UHFFFAOYSA-N
XLogP0.82
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione 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 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione?
The IUPAC name of 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione (CID 56957642) is 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione.
What is the SMILES notation for 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione?
The canonical SMILES for 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione is C=CCC1(CCOC)CC(=O)CC(=O)N1.
What is the InChIKey of 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione?
The InChIKey is GPGUTOSRXQMNJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO3/c1-3-4-11(5-6-15-2)8-9(13)7-10(14)12-11/h3H,1,4-8H2,2H3,(H,12,14).
What are the key properties of 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione?
6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione has a molecular weight of 211.26 g/mol, XLogP of 0.82, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-methoxyethyl)-6-prop-2-enylpiperidine-2,4-dione is sourced from PubChem (CID 56957642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).