(Z)-1-bromobut-1-ene

C4H7Br — CID 5463114

IUPAC(Z)-1-bromobut-1-ene
SMILESCC/C=C\Br
InChIInChI=1S/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3-
InChIKeyIUXHPSPHPKXTPA-ARJAWSKDSA-N
MW135.00 g/mol
LogP2.31
Rot. Bonds1

About (Z)-1-bromobut-1-ene

(Z)-1-bromobut-1-ene (PubChem CID 5463114) has the molecular formula C4H7Br and a molecular weight of 135.00 g/mol. Its IUPAC name is (Z)-1-bromobut-1-ene.

Molecular Properties

Compound Name(Z)-1-bromobut-1-ene
PubChem CID5463114
Molecular FormulaC4H7Br
Molecular Weight135.00 g/mol
Exact Mass133.97
IUPAC Name(Z)-1-bromobut-1-ene
SMILESCC/C=C\Br
InChIInChI=1S/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3-
InChIKeyIUXHPSPHPKXTPA-ARJAWSKDSA-N
XLogP2.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.00
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze (Z)-1-bromobut-1-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (Z)-1-bromobut-1-ene?
The IUPAC name of (Z)-1-bromobut-1-ene (CID 5463114) is (Z)-1-bromobut-1-ene.
What is the SMILES notation for (Z)-1-bromobut-1-ene?
The canonical SMILES for (Z)-1-bromobut-1-ene is CC/C=C\Br.
What is the InChIKey of (Z)-1-bromobut-1-ene?
The InChIKey is IUXHPSPHPKXTPA-ARJAWSKDSA-N. The full InChI is InChI=1S/C4H7Br/c1-2-3-4-5/h3-4H,2H2,1H3/b4-3-.
What are the key properties of (Z)-1-bromobut-1-ene?
(Z)-1-bromobut-1-ene has a molecular weight of 135.00 g/mol, XLogP of 2.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-bromobut-1-ene is sourced from PubChem (CID 5463114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).