5-bromocyclopenta-1,3-diene

C5H5Br — CID 11984638

IUPAC5-bromocyclopenta-1,3-diene
SMILESBrC1C=CC=C1
InChIInChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1-5H
InChIKeyPDKZJEILMGDSCG-UHFFFAOYSA-N
MW145.00 g/mol
LogP1.88
Rot. Bonds

About 5-bromocyclopenta-1,3-diene

5-bromocyclopenta-1,3-diene (PubChem CID 11984638) has the molecular formula C5H5Br and a molecular weight of 145.00 g/mol. Its IUPAC name is 5-bromocyclopenta-1,3-diene.

Molecular Properties

Compound Name5-bromocyclopenta-1,3-diene
PubChem CID11984638
Molecular FormulaC5H5Br
Molecular Weight145.00 g/mol
Exact Mass143.96
IUPAC Name5-bromocyclopenta-1,3-diene
SMILESBrC1C=CC=C1
InChIInChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1-5H
InChIKeyPDKZJEILMGDSCG-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

1,4-Cyclohexadiene, 6-bromo
CID 527565
1,3-Cyclohexadiene, 2-bromo
CID 527551
2-Bromocyclopenta-1,3-diene
CID 12133792
5-(Bromomethylidene)cyclopenta-1,3-diene
CID 12471587
1-Bromocyclopentadiene
CID 12559370
7-Bromocyclohepta-1,3,5-triene
CID 12647108
1-Bromocyclohepta-1,3,5-triene
CID 13040209
3-Bromocycloheptatriene
CID 14897397
(3E)-6-bromohexa-1,3-diene
CID 15620122
6-Bromohexa-1,3-diene
CID 53836715
Dibromocyclopentadiene
CID 67503363
5-Brom-5-methyl-1,3-cyclopentadien
CID 90980261

Frequently Asked Questions

What is the IUPAC name of 5-bromocyclopenta-1,3-diene?
The IUPAC name of 5-bromocyclopenta-1,3-diene (CID 11984638) is 5-bromocyclopenta-1,3-diene.
What is the SMILES notation for 5-bromocyclopenta-1,3-diene?
The canonical SMILES for 5-bromocyclopenta-1,3-diene is BrC1C=CC=C1.
What is the InChIKey of 5-bromocyclopenta-1,3-diene?
The InChIKey is PDKZJEILMGDSCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5Br/c6-5-3-1-2-4-5/h1-5H.
What are the key properties of 5-bromocyclopenta-1,3-diene?
5-bromocyclopenta-1,3-diene has a molecular weight of 145.00 g/mol, XLogP of 1.88, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromocyclopenta-1,3-diene is sourced from PubChem (CID 11984638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).