1-bromocyclopenta-1,3-diene

C5H5Br — CID 12559370

IUPAC1-bromocyclopenta-1,3-diene
SMILESBrC1=CC=CC1
InChIInChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1-3H,4H2
InChIKeyOZDZHQJWJQHHMD-UHFFFAOYSA-N
MW145.00 g/mol
LogP2.23
Rot. Bonds

About 1-bromocyclopenta-1,3-diene

1-bromocyclopenta-1,3-diene (PubChem CID 12559370) has the molecular formula C5H5Br and a molecular weight of 145.00 g/mol. Its IUPAC name is 1-bromocyclopenta-1,3-diene.

Molecular Properties

Compound Name1-bromocyclopenta-1,3-diene
PubChem CID12559370
Molecular FormulaC5H5Br
Molecular Weight145.00 g/mol
Exact Mass143.96
IUPAC Name1-bromocyclopenta-1,3-diene
SMILESBrC1=CC=CC1
InChIInChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1-3H,4H2
InChIKeyOZDZHQJWJQHHMD-UHFFFAOYSA-N
XLogP2.23
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500145.00
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-bromocyclopenta-1,3-diene?
The IUPAC name of 1-bromocyclopenta-1,3-diene (CID 12559370) is 1-bromocyclopenta-1,3-diene.
What is the SMILES notation for 1-bromocyclopenta-1,3-diene?
The canonical SMILES for 1-bromocyclopenta-1,3-diene is BrC1=CC=CC1.
What is the InChIKey of 1-bromocyclopenta-1,3-diene?
The InChIKey is OZDZHQJWJQHHMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1-3H,4H2.
What are the key properties of 1-bromocyclopenta-1,3-diene?
1-bromocyclopenta-1,3-diene has a molecular weight of 145.00 g/mol, XLogP of 2.23, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromocyclopenta-1,3-diene is sourced from PubChem (CID 12559370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).