1-bromopenta-1,4-diene

C5H7Br — CID 54260452

IUPAC1-bromopenta-1,4-diene
SMILESC=CCC=CBr
InChIInChI=1S/C5H7Br/c1-2-3-4-5-6/h2,4-5H,1,3H2
InChIKeyYAEIKZISLPEQRO-UHFFFAOYSA-N
MW147.01 g/mol
LogP2.47
Rot. Bonds2

About 1-bromopenta-1,4-diene

1-bromopenta-1,4-diene (PubChem CID 54260452) has the molecular formula C5H7Br and a molecular weight of 147.01 g/mol. Its IUPAC name is 1-bromopenta-1,4-diene.

Molecular Properties

Compound Name1-bromopenta-1,4-diene
PubChem CID54260452
Molecular FormulaC5H7Br
Molecular Weight147.01 g/mol
Exact Mass145.97
IUPAC Name1-bromopenta-1,4-diene
SMILESC=CCC=CBr
InChIInChI=1S/C5H7Br/c1-2-3-4-5-6/h2,4-5H,1,3H2
InChIKeyYAEIKZISLPEQRO-UHFFFAOYSA-N
XLogP2.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500147.01
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-bromopenta-1,4-diene?
The IUPAC name of 1-bromopenta-1,4-diene (CID 54260452) is 1-bromopenta-1,4-diene.
What is the SMILES notation for 1-bromopenta-1,4-diene?
The canonical SMILES for 1-bromopenta-1,4-diene is C=CCC=CBr.
What is the InChIKey of 1-bromopenta-1,4-diene?
The InChIKey is YAEIKZISLPEQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Br/c1-2-3-4-5-6/h2,4-5H,1,3H2.
What are the key properties of 1-bromopenta-1,4-diene?
1-bromopenta-1,4-diene has a molecular weight of 147.01 g/mol, XLogP of 2.47, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromopenta-1,4-diene is sourced from PubChem (CID 54260452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).