5,5-dibromocyclopenta-1,3-diene

C5H4Br2 — CID 67503363

IUPAC5,5-dibromocyclopenta-1,3-diene
SMILESBrC1(Br)C=CC=C1
InChIInChI=1S/C5H4Br2/c6-5(7)3-1-2-4-5/h1-4H
InChIKeyGQZYIRUXERCXQV-UHFFFAOYSA-N
MW223.90 g/mol
LogP2.60
Rot. Bonds

About 5,5-dibromocyclopenta-1,3-diene

5,5-dibromocyclopenta-1,3-diene (PubChem CID 67503363) has the molecular formula C5H4Br2 and a molecular weight of 223.90 g/mol. Its IUPAC name is 5,5-dibromocyclopenta-1,3-diene.

Molecular Properties

Compound Name5,5-dibromocyclopenta-1,3-diene
PubChem CID67503363
Molecular FormulaC5H4Br2
Molecular Weight223.90 g/mol
Exact Mass221.87
IUPAC Name5,5-dibromocyclopenta-1,3-diene
SMILESBrC1(Br)C=CC=C1
InChIInChI=1S/C5H4Br2/c6-5(7)3-1-2-4-5/h1-4H
InChIKeyGQZYIRUXERCXQV-UHFFFAOYSA-N
XLogP2.60
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.90
LogP ≤ 52.60
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

5,6-dibromo-5,6-dimethylcyclohexa-1,3-diene
CID 23052226
3,3-dibromo-6-phenylcyclohexa-1,4-diene
CID 67389672
5-bromo-5-iodocyclohexa-1,3-diene;hydrate
CID 172757994
5,5,6,6-tetrafluorocyclohexa-1,3-diene
CID 12676459
6-bromo-6-iodocyclohexa-2,4-dien-1-ol
CID 154174445
(2-bromo-1H-pyridin-2-yl)-trimethylsilane
CID 150592449
6-amino-6-bromocyclohexa-2,4-dien-1-ol
CID 68848046
(1-bromocyclohexa-2,4-dien-1-yl)hydrazine
CID 171662498
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 91022603
5,5-dimethylcyclopenta-1,3-diene;ethane
CID 90745193
5,6-dibromo-5-nitrosocyclohexa-1,3-diene
CID 87551950
1-bromo-6-ethylcyclohexa-2,4-dien-1-ol
CID 174381773

Frequently Asked Questions

What is the IUPAC name of 5,5-dibromocyclopenta-1,3-diene?
The IUPAC name of 5,5-dibromocyclopenta-1,3-diene (CID 67503363) is 5,5-dibromocyclopenta-1,3-diene.
What is the SMILES notation for 5,5-dibromocyclopenta-1,3-diene?
The canonical SMILES for 5,5-dibromocyclopenta-1,3-diene is BrC1(Br)C=CC=C1.
What is the InChIKey of 5,5-dibromocyclopenta-1,3-diene?
The InChIKey is GQZYIRUXERCXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br2/c6-5(7)3-1-2-4-5/h1-4H.
What are the key properties of 5,5-dibromocyclopenta-1,3-diene?
5,5-dibromocyclopenta-1,3-diene has a molecular weight of 223.90 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-dibromocyclopenta-1,3-diene is sourced from PubChem (CID 67503363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).