5-bromopent-3-enoyl chloride

C5H6BrClO — CID 151384213

IUPAC5-bromopent-3-enoyl chloride
SMILESO=C(Cl)CC=CCBr
InChIInChI=1S/C5H6BrClO/c6-4-2-1-3-5(7)8/h1-2H,3-4H2
InChIKeyOTBGEEKIZYTAAJ-UHFFFAOYSA-N
MW197.46 g/mol
LogP2.09
Rot. Bonds3

About 5-bromopent-3-enoyl chloride

5-bromopent-3-enoyl chloride (PubChem CID 151384213) has the molecular formula C5H6BrClO and a molecular weight of 197.46 g/mol. Its IUPAC name is 5-bromopent-3-enoyl chloride.

Molecular Properties

Compound Name5-bromopent-3-enoyl chloride
PubChem CID151384213
Molecular FormulaC5H6BrClO
Molecular Weight197.46 g/mol
Exact Mass195.93
IUPAC Name5-bromopent-3-enoyl chloride
SMILESO=C(Cl)CC=CCBr
InChIInChI=1S/C5H6BrClO/c6-4-2-1-3-5(7)8/h1-2H,3-4H2
InChIKeyOTBGEEKIZYTAAJ-UHFFFAOYSA-N
XLogP2.09
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.46
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acid_halide', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-bromopent-3-enoyl chloride?
The IUPAC name of 5-bromopent-3-enoyl chloride (CID 151384213) is 5-bromopent-3-enoyl chloride.
What is the SMILES notation for 5-bromopent-3-enoyl chloride?
The canonical SMILES for 5-bromopent-3-enoyl chloride is O=C(Cl)CC=CCBr.
What is the InChIKey of 5-bromopent-3-enoyl chloride?
The InChIKey is OTBGEEKIZYTAAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6BrClO/c6-4-2-1-3-5(7)8/h1-2H,3-4H2.
What are the key properties of 5-bromopent-3-enoyl chloride?
5-bromopent-3-enoyl chloride has a molecular weight of 197.46 g/mol, XLogP of 2.09, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromopent-3-enoyl chloride is sourced from PubChem (CID 151384213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).