3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione

C11H17NO2 — CID 89318289

IUPAC3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione
SMILESC/C=C(\C)C1(CC)CCC(=O)NC1=O
InChIInChI=1S/C11H17NO2/c1-4-8(3)11(5-2)7-6-9(13)12-10(11)14/h4H,5-7H2,1-3H3,(H,12,13,14)/b8-4+
InChIKeyVSDFGVJSHLVJIY-XBXARRHUSA-N
MW195.26 g/mol
LogP1.79
Rot. Bonds2

About 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione

3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione (PubChem CID 89318289) has the molecular formula C11H17NO2 and a molecular weight of 195.26 g/mol. Its IUPAC name is 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione.

Molecular Properties

Compound Name3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione
PubChem CID89318289
Molecular FormulaC11H17NO2
Molecular Weight195.26 g/mol
Exact Mass195.13
IUPAC Name3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione
SMILESC/C=C(\C)C1(CC)CCC(=O)NC1=O
InChIInChI=1S/C11H17NO2/c1-4-8(3)11(5-2)7-6-9(13)12-10(11)14/h4H,5-7H2,1-3H3,(H,12,13,14)/b8-4+
InChIKeyVSDFGVJSHLVJIY-XBXARRHUSA-N
XLogP1.79
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.26
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione?
The IUPAC name of 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione (CID 89318289) is 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione.
What is the SMILES notation for 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione?
The canonical SMILES for 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione is C/C=C(\C)C1(CC)CCC(=O)NC1=O.
What is the InChIKey of 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione?
The InChIKey is VSDFGVJSHLVJIY-XBXARRHUSA-N. The full InChI is InChI=1S/C11H17NO2/c1-4-8(3)11(5-2)7-6-9(13)12-10(11)14/h4H,5-7H2,1-3H3,(H,12,13,14)/b8-4+.
What are the key properties of 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione?
3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione has a molecular weight of 195.26 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-en-2-yl]-3-ethylpiperidine-2,6-dione is sourced from PubChem (CID 89318289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).