4-bromo-5-cyclopentylfuran-2-carbaldehyde

C10H11BrO2 — CID 83843424

IUPAC4-bromo-5-cyclopentylfuran-2-carbaldehyde
SMILESO=Cc1cc(Br)c(C2CCCC2)o1
InChIInChI=1S/C10H11BrO2/c11-9-5-8(6-12)13-10(9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyUFDRHLGCTDVHSR-UHFFFAOYSA-N
MW243.10 g/mol
LogP3.51
Rot. Bonds2

About 4-bromo-5-cyclopentylfuran-2-carbaldehyde

4-bromo-5-cyclopentylfuran-2-carbaldehyde (PubChem CID 83843424) has the molecular formula C10H11BrO2 and a molecular weight of 243.10 g/mol. Its IUPAC name is 4-bromo-5-cyclopentylfuran-2-carbaldehyde.

Molecular Properties

Compound Name4-bromo-5-cyclopentylfuran-2-carbaldehyde
PubChem CID83843424
Molecular FormulaC10H11BrO2
Molecular Weight243.10 g/mol
Exact Mass241.99
IUPAC Name4-bromo-5-cyclopentylfuran-2-carbaldehyde
SMILESO=Cc1cc(Br)c(C2CCCC2)o1
InChIInChI=1S/C10H11BrO2/c11-9-5-8(6-12)13-10(9)7-3-1-2-4-7/h5-7H,1-4H2
InChIKeyUFDRHLGCTDVHSR-UHFFFAOYSA-N
XLogP3.51
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.10
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-bromo-5-cyclopentylfuran-2-yl)acetic acid
CID 82625953
2-(4-bromo-5-cyclopentylfuran-2-yl)ethanamine
CID 83844270
5-cyclohexyl-2-cyclopropylfuran-3-carbaldehyde
CID 165451234
4-chloro-5-(1-methylpiperidin-4-yl)furan-2-carbaldehyde
CID 83839980
4-bromo-5-cyclopentyl-1,2-oxazole-3-carbaldehyde
CID 83912815
4-cyclohexylfuran-2-carbaldehyde;ethane
CID 142856925
5-bromofuran-2-carbaldehyde;5-cyclopropylfuran-2-carbaldehyde;ethane
CID 142287511
5-cyclopentyl-1,3-oxazole-4-carbaldehyde
CID 82414681
5-cyclohexyl-1,2-oxazole-4-carbaldehyde
CID 82409621
5-(2-cyclobutylphenyl)furan-2-carbaldehyde
CID 106886627
1-bromo-4-cyclohexylbenzene;5-(4-cyclohexylphenyl)furan-2-carbaldehyde;(5-formylfuran-2-yl)boronic acid
CID 160919573
5-cyclohexyl-3-methylfuran-2-carbaldehyde
CID 19430344

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-cyclopentylfuran-2-carbaldehyde?
The IUPAC name of 4-bromo-5-cyclopentylfuran-2-carbaldehyde (CID 83843424) is 4-bromo-5-cyclopentylfuran-2-carbaldehyde.
What is the SMILES notation for 4-bromo-5-cyclopentylfuran-2-carbaldehyde?
The canonical SMILES for 4-bromo-5-cyclopentylfuran-2-carbaldehyde is O=Cc1cc(Br)c(C2CCCC2)o1.
What is the InChIKey of 4-bromo-5-cyclopentylfuran-2-carbaldehyde?
The InChIKey is UFDRHLGCTDVHSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrO2/c11-9-5-8(6-12)13-10(9)7-3-1-2-4-7/h5-7H,1-4H2.
What are the key properties of 4-bromo-5-cyclopentylfuran-2-carbaldehyde?
4-bromo-5-cyclopentylfuran-2-carbaldehyde has a molecular weight of 243.10 g/mol, XLogP of 3.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-cyclopentylfuran-2-carbaldehyde is sourced from PubChem (CID 83843424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).