3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde

C8H7BrOS — CID 71670902

IUPAC3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde
SMILESO=Cc1sc2c(c1Br)CCC2
InChIInChI=1S/C8H7BrOS/c9-8-5-2-1-3-6(5)11-7(8)4-10/h4H,1-3H2
InChIKeyNPAJRJKPTDQQBO-UHFFFAOYSA-N
MW231.11 g/mol
LogP2.81
Rot. Bonds1

About 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde

3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde (PubChem CID 71670902) has the molecular formula C8H7BrOS and a molecular weight of 231.11 g/mol. Its IUPAC name is 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde.

Molecular Properties

Compound Name3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde
PubChem CID71670902
Molecular FormulaC8H7BrOS
Molecular Weight231.11 g/mol
Exact Mass229.94
IUPAC Name3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde
SMILESO=Cc1sc2c(c1Br)CCC2
InChIInChI=1S/C8H7BrOS/c9-8-5-2-1-3-6(5)11-7(8)4-10/h4H,1-3H2
InChIKeyNPAJRJKPTDQQBO-UHFFFAOYSA-N
XLogP2.81
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.11
LogP ≤ 52.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde?
The IUPAC name of 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde (CID 71670902) is 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde.
What is the SMILES notation for 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde?
The canonical SMILES for 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde is O=Cc1sc2c(c1Br)CCC2.
What is the InChIKey of 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde?
The InChIKey is NPAJRJKPTDQQBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrOS/c9-8-5-2-1-3-6(5)11-7(8)4-10/h4H,1-3H2.
What are the key properties of 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde?
3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde has a molecular weight of 231.11 g/mol, XLogP of 2.81, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5,6-dihydro-4H-cyclopenta[b]thiophene-2-carbaldehyde is sourced from PubChem (CID 71670902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).