1-(2-bromocyclopentyl)ethanone

C7H11BrO — CID 68839604

IUPAC1-(2-bromocyclopentyl)ethanone
SMILESCC(=O)C1CCCC1Br
InChIInChI=1S/C7H11BrO/c1-5(9)6-3-2-4-7(6)8/h6-7H,2-4H2,1H3
InChIKeyMMAXUXPERMUHSM-UHFFFAOYSA-N
MW191.07 g/mol
LogP2.14
Rot. Bonds1

About 1-(2-bromocyclopentyl)ethanone

1-(2-bromocyclopentyl)ethanone (PubChem CID 68839604) has the molecular formula C7H11BrO and a molecular weight of 191.07 g/mol. Its IUPAC name is 1-(2-bromocyclopentyl)ethanone.

Molecular Properties

Compound Name1-(2-bromocyclopentyl)ethanone
PubChem CID68839604
Molecular FormulaC7H11BrO
Molecular Weight191.07 g/mol
Exact Mass190.00
IUPAC Name1-(2-bromocyclopentyl)ethanone
SMILESCC(=O)C1CCCC1Br
InChIInChI=1S/C7H11BrO/c1-5(9)6-3-2-4-7(6)8/h6-7H,2-4H2,1H3
InChIKeyMMAXUXPERMUHSM-UHFFFAOYSA-N
XLogP2.14
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
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 1-(2-bromocyclopentyl)ethanone?
The IUPAC name of 1-(2-bromocyclopentyl)ethanone (CID 68839604) is 1-(2-bromocyclopentyl)ethanone.
What is the SMILES notation for 1-(2-bromocyclopentyl)ethanone?
The canonical SMILES for 1-(2-bromocyclopentyl)ethanone is CC(=O)C1CCCC1Br.
What is the InChIKey of 1-(2-bromocyclopentyl)ethanone?
The InChIKey is MMAXUXPERMUHSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrO/c1-5(9)6-3-2-4-7(6)8/h6-7H,2-4H2,1H3.
What are the key properties of 1-(2-bromocyclopentyl)ethanone?
1-(2-bromocyclopentyl)ethanone has a molecular weight of 191.07 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromocyclopentyl)ethanone is sourced from PubChem (CID 68839604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).