2,3-dibromopent-1-ene

C5H8Br2 — CID 87548281

IUPAC2,3-dibromopent-1-ene
SMILESC=C(Br)C(Br)CC
InChIInChI=1S/C5H8Br2/c1-3-5(7)4(2)6/h5H,2-3H2,1H3
InChIKeyIRXSIQZEVCGGBJ-UHFFFAOYSA-N
MW227.93 g/mol
LogP3.07
Rot. Bonds2

About 2,3-dibromopent-1-ene

2,3-dibromopent-1-ene (PubChem CID 87548281) has the molecular formula C5H8Br2 and a molecular weight of 227.93 g/mol. Its IUPAC name is 2,3-dibromopent-1-ene.

Molecular Properties

Compound Name2,3-dibromopent-1-ene
PubChem CID87548281
Molecular FormulaC5H8Br2
Molecular Weight227.93 g/mol
Exact Mass225.90
IUPAC Name2,3-dibromopent-1-ene
SMILESC=C(Br)C(Br)CC
InChIInChI=1S/C5H8Br2/c1-3-5(7)4(2)6/h5H,2-3H2,1H3
InChIKeyIRXSIQZEVCGGBJ-UHFFFAOYSA-N
XLogP3.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.93
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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 2,3-dibromopent-1-ene?
The IUPAC name of 2,3-dibromopent-1-ene (CID 87548281) is 2,3-dibromopent-1-ene.
What is the SMILES notation for 2,3-dibromopent-1-ene?
The canonical SMILES for 2,3-dibromopent-1-ene is C=C(Br)C(Br)CC.
What is the InChIKey of 2,3-dibromopent-1-ene?
The InChIKey is IRXSIQZEVCGGBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8Br2/c1-3-5(7)4(2)6/h5H,2-3H2,1H3.
What are the key properties of 2,3-dibromopent-1-ene?
2,3-dibromopent-1-ene has a molecular weight of 227.93 g/mol, XLogP of 3.07, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dibromopent-1-ene is sourced from PubChem (CID 87548281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).