2-(2-bromoethyl)cyclopentan-1-one

C7H11BrO — CID 14968965

IUPAC2-(2-bromoethyl)cyclopentan-1-one
SMILESO=C1CCCC1CCBr
InChIInChI=1S/C7H11BrO/c8-5-4-6-2-1-3-7(6)9/h6H,1-5H2
InChIKeyYVJLOYLDTKXDTK-UHFFFAOYSA-N
MW191.07 g/mol
LogP2.14
Rot. Bonds2

About 2-(2-bromoethyl)cyclopentan-1-one

2-(2-bromoethyl)cyclopentan-1-one (PubChem CID 14968965) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is 2-(2-bromoethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-bromoethyl)cyclopentan-1-one
PubChem CID14968965
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name2-(2-bromoethyl)cyclopentan-1-one
SMILESO=C1CCCC1CCBr
InChIInChI=1S/C7H11BrO/c8-5-4-6-2-1-3-7(6)9/h6H,1-5H2
InChIKeyYVJLOYLDTKXDTK-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.07
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)cyclopentan-1-one?
The IUPAC name of 2-(2-bromoethyl)cyclopentan-1-one (CID 14968965) is 2-(2-bromoethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-bromoethyl)cyclopentan-1-one?
The canonical SMILES for 2-(2-bromoethyl)cyclopentan-1-one is O=C1CCCC1CCBr.
What is the InChIKey of 2-(2-bromoethyl)cyclopentan-1-one?
The InChIKey is YVJLOYLDTKXDTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO/c8-5-4-6-2-1-3-7(6)9/h6H,1-5H2.
What are the key properties of 2-(2-bromoethyl)cyclopentan-1-one?
2-(2-bromoethyl)cyclopentan-1-one has a molecular weight of 191.07 g/mol, XLogP of 2.14, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)cyclopentan-1-one is sourced from PubChem (CID 14968965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).