2-(2-bromoethyl)cyclopenta-1,3-diene

C7H9Br — CID 91385772

IUPAC2-(2-bromoethyl)cyclopenta-1,3-diene
SMILESBrCCC1=CCC=C1
InChIInChI=1S/C7H9Br/c8-6-5-7-3-1-2-4-7/h1,3-4H,2,5-6H2
InChIKeyMNEIKRMBKWFKON-UHFFFAOYSA-N
MW173.05 g/mol
LogP2.66
Rot. Bonds2

About 2-(2-bromoethyl)cyclopenta-1,3-diene

2-(2-bromoethyl)cyclopenta-1,3-diene (PubChem CID 91385772) has the molecular formula C7H9Br and a molecular weight of 173.05 g/mol. Its IUPAC name is 2-(2-bromoethyl)cyclopenta-1,3-diene.

Molecular Properties

Compound Name2-(2-bromoethyl)cyclopenta-1,3-diene
PubChem CID91385772
Molecular FormulaC7H9Br
Molecular Weight173.05 g/mol
Exact Mass171.99
IUPAC Name2-(2-bromoethyl)cyclopenta-1,3-diene
SMILESBrCCC1=CCC=C1
InChIInChI=1S/C7H9Br/c8-6-5-7-3-1-2-4-7/h1,3-4H,2,5-6H2
InChIKeyMNEIKRMBKWFKON-UHFFFAOYSA-N
XLogP2.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.05
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(2-bromoethyl)cyclopenta-1,3-diene?
The IUPAC name of 2-(2-bromoethyl)cyclopenta-1,3-diene (CID 91385772) is 2-(2-bromoethyl)cyclopenta-1,3-diene.
What is the SMILES notation for 2-(2-bromoethyl)cyclopenta-1,3-diene?
The canonical SMILES for 2-(2-bromoethyl)cyclopenta-1,3-diene is BrCCC1=CCC=C1.
What is the InChIKey of 2-(2-bromoethyl)cyclopenta-1,3-diene?
The InChIKey is MNEIKRMBKWFKON-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9Br/c8-6-5-7-3-1-2-4-7/h1,3-4H,2,5-6H2.
What are the key properties of 2-(2-bromoethyl)cyclopenta-1,3-diene?
2-(2-bromoethyl)cyclopenta-1,3-diene has a molecular weight of 173.05 g/mol, XLogP of 2.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromoethyl)cyclopenta-1,3-diene is sourced from PubChem (CID 91385772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).