4-bromopent-2-ene

C5H9Br — CID 534920

IUPAC4-bromopent-2-ene
SMILESCC=CC(C)Br
InChIInChI=1S/C5H9Br/c1-3-4-5(2)6/h3-5H,1-2H3
InChIKeyLIPODSDLKCMVON-UHFFFAOYSA-N
MW149.03 g/mol
LogP2.35
Rot. Bonds1

About 4-bromopent-2-ene

4-bromopent-2-ene (PubChem CID 534920) has the molecular formula C5H9Br and a molecular weight of 149.03 g/mol. Its IUPAC name is 4-bromopent-2-ene.

Molecular Properties

Compound Name4-bromopent-2-ene
PubChem CID534920
Molecular FormulaC5H9Br
Molecular Weight149.03 g/mol
Exact Mass147.99
IUPAC Name4-bromopent-2-ene
SMILESCC=CC(C)Br
InChIInChI=1S/C5H9Br/c1-3-4-5(2)6/h3-5H,1-2H3
InChIKeyLIPODSDLKCMVON-UHFFFAOYSA-N
XLogP2.35
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.03
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'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 4-bromopent-2-ene?
The IUPAC name of 4-bromopent-2-ene (CID 534920) is 4-bromopent-2-ene.
What is the SMILES notation for 4-bromopent-2-ene?
The canonical SMILES for 4-bromopent-2-ene is CC=CC(C)Br.
What is the InChIKey of 4-bromopent-2-ene?
The InChIKey is LIPODSDLKCMVON-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9Br/c1-3-4-5(2)6/h3-5H,1-2H3.
What are the key properties of 4-bromopent-2-ene?
4-bromopent-2-ene has a molecular weight of 149.03 g/mol, XLogP of 2.35, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromopent-2-ene is sourced from PubChem (CID 534920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).