2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one

C9H15BrO2 — CID 89355792

IUPAC2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one
SMILESO=C1CCC(CCO)C1CCBr
InChIInChI=1S/C9H15BrO2/c10-5-3-8-7(4-6-11)1-2-9(8)12/h7-8,11H,1-6H2
InChIKeySGBXDNZENSBONN-UHFFFAOYSA-N
MW235.12 g/mol
LogP1.75
Rot. Bonds4

About 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one

2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one (PubChem CID 89355792) has the molecular formula C9H15BrO2 and a molecular weight of 235.12 g/mol. Its IUPAC name is 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one
PubChem CID89355792
Molecular FormulaC9H15BrO2
Molecular Weight235.12 g/mol
Exact Mass234.03
IUPAC Name2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one
SMILESO=C1CCC(CCO)C1CCBr
InChIInChI=1S/C9H15BrO2/c10-5-3-8-7(4-6-11)1-2-9(8)12/h7-8,11H,1-6H2
InChIKeySGBXDNZENSBONN-UHFFFAOYSA-N
XLogP1.75
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.12
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-3-(2-hydroxyethyl)cyclopentan-1-one?
The IUPAC name of 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one (CID 89355792) is 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one.
What is the SMILES notation for 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one?
The canonical SMILES for 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one is O=C1CCC(CCO)C1CCBr.
What is the InChIKey of 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one?
The InChIKey is SGBXDNZENSBONN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15BrO2/c10-5-3-8-7(4-6-11)1-2-9(8)12/h7-8,11H,1-6H2.
What are the key properties of 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one?
2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one has a molecular weight of 235.12 g/mol, XLogP of 1.75, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)-3-(2-hydroxyethyl)cyclopentan-1-one is sourced from PubChem (CID 89355792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).