1-(2-bromoethyl)piperidine-2,6-dione

C7H10BrNO2 — CID 10943981

IUPAC1-(2-bromoethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCBr
InChIInChI=1S/C7H10BrNO2/c8-4-5-9-6(10)2-1-3-7(9)11/h1-5H2
InChIKeyUIGJDJSBPBDVES-UHFFFAOYSA-N
MW220.07 g/mol
LogP0.92
Rot. Bonds2

About 1-(2-bromoethyl)piperidine-2,6-dione

1-(2-bromoethyl)piperidine-2,6-dione (PubChem CID 10943981) has the molecular formula C7H10BrNO2 and a molecular weight of 220.07 g/mol. Its IUPAC name is 1-(2-bromoethyl)piperidine-2,6-dione.

Molecular Properties

Compound Name1-(2-bromoethyl)piperidine-2,6-dione
PubChem CID10943981
Molecular FormulaC7H10BrNO2
Molecular Weight220.07 g/mol
Exact Mass218.99
IUPAC Name1-(2-bromoethyl)piperidine-2,6-dione
SMILESO=C1CCCC(=O)N1CCBr
InChIInChI=1S/C7H10BrNO2/c8-4-5-9-6(10)2-1-3-7(9)11/h1-5H2
InChIKeyUIGJDJSBPBDVES-UHFFFAOYSA-N
XLogP0.92
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.07
LogP ≤ 50.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(2-bromoethyl)piperidine-2,6-dione?
The IUPAC name of 1-(2-bromoethyl)piperidine-2,6-dione (CID 10943981) is 1-(2-bromoethyl)piperidine-2,6-dione.
What is the SMILES notation for 1-(2-bromoethyl)piperidine-2,6-dione?
The canonical SMILES for 1-(2-bromoethyl)piperidine-2,6-dione is O=C1CCCC(=O)N1CCBr.
What is the InChIKey of 1-(2-bromoethyl)piperidine-2,6-dione?
The InChIKey is UIGJDJSBPBDVES-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10BrNO2/c8-4-5-9-6(10)2-1-3-7(9)11/h1-5H2.
What are the key properties of 1-(2-bromoethyl)piperidine-2,6-dione?
1-(2-bromoethyl)piperidine-2,6-dione has a molecular weight of 220.07 g/mol, XLogP of 0.92, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromoethyl)piperidine-2,6-dione is sourced from PubChem (CID 10943981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).