2-bromocyclopenta-1,3-diene

C5H4Br- — CID 11984637

IUPAC2-bromocyclopenta-1,3-diene
SMILESBrc1cc[cH-]c1
InChIInChI=1S/C5H4Br/c6-5-3-1-2-4-5/h1-4H/q-1
InChIKeyPOZRSGRHXSHSFC-UHFFFAOYSA-N
MW143.99 g/mol
LogP2.17
Rot. Bonds

About 2-bromocyclopenta-1,3-diene

2-bromocyclopenta-1,3-diene (PubChem CID 11984637) has the molecular formula C5H4Br- and a molecular weight of 143.99 g/mol. Its IUPAC name is 2-bromocyclopenta-1,3-diene.

Molecular Properties

Compound Name2-bromocyclopenta-1,3-diene
PubChem CID11984637
Molecular FormulaC5H4Br-
Molecular Weight143.99 g/mol
Exact Mass142.95
IUPAC Name2-bromocyclopenta-1,3-diene
SMILESBrc1cc[cH-]c1
InChIInChI=1S/C5H4Br/c6-5-3-1-2-4-5/h1-4H/q-1
InChIKeyPOZRSGRHXSHSFC-UHFFFAOYSA-N
XLogP2.17
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.99
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-bromocyclopenta-1,3-diene?
The IUPAC name of 2-bromocyclopenta-1,3-diene (CID 11984637) is 2-bromocyclopenta-1,3-diene.
What is the SMILES notation for 2-bromocyclopenta-1,3-diene?
The canonical SMILES for 2-bromocyclopenta-1,3-diene is Brc1cc[cH-]c1.
What is the InChIKey of 2-bromocyclopenta-1,3-diene?
The InChIKey is POZRSGRHXSHSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4Br/c6-5-3-1-2-4-5/h1-4H/q-1.
What are the key properties of 2-bromocyclopenta-1,3-diene?
2-bromocyclopenta-1,3-diene has a molecular weight of 143.99 g/mol, XLogP of 2.17, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromocyclopenta-1,3-diene is sourced from PubChem (CID 11984637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).