(1-bromocyclopentyl)-thiophen-2-ylmethanone

C10H11BrOS — CID 3023770

IUPAC(1-bromocyclopentyl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1(Br)CCCC1
InChIInChI=1S/C10H11BrOS/c11-10(5-1-2-6-10)9(12)8-4-3-7-13-8/h3-4,7H,1-2,5-6H2
InChIKeyZUMUBEYQNBPOND-UHFFFAOYSA-N
MW259.17 g/mol
LogP3.64
Rot. Bonds2

About (1-bromocyclopentyl)-thiophen-2-ylmethanone

(1-bromocyclopentyl)-thiophen-2-ylmethanone (PubChem CID 3023770) has the molecular formula C10H11BrOS and a molecular weight of 259.17 g/mol. Its IUPAC name is (1-bromocyclopentyl)-thiophen-2-ylmethanone.

Molecular Properties

Compound Name(1-bromocyclopentyl)-thiophen-2-ylmethanone
PubChem CID3023770
Molecular FormulaC10H11BrOS
Molecular Weight259.17 g/mol
Exact Mass257.97
IUPAC Name(1-bromocyclopentyl)-thiophen-2-ylmethanone
SMILESO=C(c1cccs1)C1(Br)CCCC1
InChIInChI=1S/C10H11BrOS/c11-10(5-1-2-6-10)9(12)8-4-3-7-13-8/h3-4,7H,1-2,5-6H2
InChIKeyZUMUBEYQNBPOND-UHFFFAOYSA-N
XLogP3.64
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.17
LogP ≤ 53.64
H-Bond Donors ≤ 50
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 (1-bromocyclopentyl)-thiophen-2-ylmethanone?
The IUPAC name of (1-bromocyclopentyl)-thiophen-2-ylmethanone (CID 3023770) is (1-bromocyclopentyl)-thiophen-2-ylmethanone.
What is the SMILES notation for (1-bromocyclopentyl)-thiophen-2-ylmethanone?
The canonical SMILES for (1-bromocyclopentyl)-thiophen-2-ylmethanone is O=C(c1cccs1)C1(Br)CCCC1.
What is the InChIKey of (1-bromocyclopentyl)-thiophen-2-ylmethanone?
The InChIKey is ZUMUBEYQNBPOND-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrOS/c11-10(5-1-2-6-10)9(12)8-4-3-7-13-8/h3-4,7H,1-2,5-6H2.
What are the key properties of (1-bromocyclopentyl)-thiophen-2-ylmethanone?
(1-bromocyclopentyl)-thiophen-2-ylmethanone has a molecular weight of 259.17 g/mol, XLogP of 3.64, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-bromocyclopentyl)-thiophen-2-ylmethanone is sourced from PubChem (CID 3023770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).