4-(3-bromo-2-methylpropyl)cyclopentene

C9H15Br — CID 165445923

IUPAC4-(3-bromo-2-methylpropyl)cyclopentene
SMILESCC(CBr)CC1CC=CC1
InChIInChI=1S/C9H15Br/c1-8(7-10)6-9-4-2-3-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyJYMPCEHSTUHPOI-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.37
Rot. Bonds3

About 4-(3-bromo-2-methylpropyl)cyclopentene

4-(3-bromo-2-methylpropyl)cyclopentene (PubChem CID 165445923) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 4-(3-bromo-2-methylpropyl)cyclopentene.

Molecular Properties

Compound Name4-(3-bromo-2-methylpropyl)cyclopentene
PubChem CID165445923
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name4-(3-bromo-2-methylpropyl)cyclopentene
SMILESCC(CBr)CC1CC=CC1
InChIInChI=1S/C9H15Br/c1-8(7-10)6-9-4-2-3-5-9/h2-3,8-9H,4-7H2,1H3
InChIKeyJYMPCEHSTUHPOI-UHFFFAOYSA-N
XLogP3.37
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.37
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'}

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-2-methylpropyl)cyclopentene?
The IUPAC name of 4-(3-bromo-2-methylpropyl)cyclopentene (CID 165445923) is 4-(3-bromo-2-methylpropyl)cyclopentene.
What is the SMILES notation for 4-(3-bromo-2-methylpropyl)cyclopentene?
The canonical SMILES for 4-(3-bromo-2-methylpropyl)cyclopentene is CC(CBr)CC1CC=CC1.
What is the InChIKey of 4-(3-bromo-2-methylpropyl)cyclopentene?
The InChIKey is JYMPCEHSTUHPOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c1-8(7-10)6-9-4-2-3-5-9/h2-3,8-9H,4-7H2,1H3.
What are the key properties of 4-(3-bromo-2-methylpropyl)cyclopentene?
4-(3-bromo-2-methylpropyl)cyclopentene has a molecular weight of 203.12 g/mol, XLogP of 3.37, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-2-methylpropyl)cyclopentene is sourced from PubChem (CID 165445923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).