3-(2-bromoethyl)cyclopentene

C7H11Br — CID 12658866

IUPAC3-(2-bromoethyl)cyclopentene
SMILESBrCCC1C=CCC1
InChIInChI=1S/C7H11Br/c8-6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2
InChIKeyKFWJYXNSDXNDIQ-UHFFFAOYSA-N
MW175.07 g/mol
LogP2.74
Rot. Bonds2

About 3-(2-bromoethyl)cyclopentene

3-(2-bromoethyl)cyclopentene (PubChem CID 12658866) has the molecular formula C7H11Br and a molecular weight of 175.07 g/mol. Its IUPAC name is 3-(2-bromoethyl)cyclopentene.

Molecular Properties

Compound Name3-(2-bromoethyl)cyclopentene
PubChem CID12658866
Molecular FormulaC7H11Br
Molecular Weight175.07 g/mol
Exact Mass174.00
IUPAC Name3-(2-bromoethyl)cyclopentene
SMILESBrCCC1C=CCC1
InChIInChI=1S/C7H11Br/c8-6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2
InChIKeyKFWJYXNSDXNDIQ-UHFFFAOYSA-N
XLogP2.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.07
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 3-(2-bromoethyl)cyclopentene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2-bromoethyl)cyclopentene?
The IUPAC name of 3-(2-bromoethyl)cyclopentene (CID 12658866) is 3-(2-bromoethyl)cyclopentene.
What is the SMILES notation for 3-(2-bromoethyl)cyclopentene?
The canonical SMILES for 3-(2-bromoethyl)cyclopentene is BrCCC1C=CCC1.
What is the InChIKey of 3-(2-bromoethyl)cyclopentene?
The InChIKey is KFWJYXNSDXNDIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11Br/c8-6-5-7-3-1-2-4-7/h1,3,7H,2,4-6H2.
What are the key properties of 3-(2-bromoethyl)cyclopentene?
3-(2-bromoethyl)cyclopentene has a molecular weight of 175.07 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-bromoethyl)cyclopentene is sourced from PubChem (CID 12658866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).