1-(4-bromobutyl)cyclopentene

C9H15Br — CID 14243708

IUPAC1-(4-bromobutyl)cyclopentene
SMILESBrCCCCC1=CCCC1
InChIInChI=1S/C9H15Br/c10-8-4-3-7-9-5-1-2-6-9/h5H,1-4,6-8H2
InChIKeyQJPKYJHPZYYKCV-UHFFFAOYSA-N
MW203.12 g/mol
LogP3.66
Rot. Bonds4

About 1-(4-bromobutyl)cyclopentene

1-(4-bromobutyl)cyclopentene (PubChem CID 14243708) has the molecular formula C9H15Br and a molecular weight of 203.12 g/mol. Its IUPAC name is 1-(4-bromobutyl)cyclopentene.

Molecular Properties

Compound Name1-(4-bromobutyl)cyclopentene
PubChem CID14243708
Molecular FormulaC9H15Br
Molecular Weight203.12 g/mol
Exact Mass202.04
IUPAC Name1-(4-bromobutyl)cyclopentene
SMILESBrCCCCC1=CCCC1
InChIInChI=1S/C9H15Br/c10-8-4-3-7-9-5-1-2-6-9/h5H,1-4,6-8H2
InChIKeyQJPKYJHPZYYKCV-UHFFFAOYSA-N
XLogP3.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.12
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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 1-(4-bromobutyl)cyclopentene?
The IUPAC name of 1-(4-bromobutyl)cyclopentene (CID 14243708) is 1-(4-bromobutyl)cyclopentene.
What is the SMILES notation for 1-(4-bromobutyl)cyclopentene?
The canonical SMILES for 1-(4-bromobutyl)cyclopentene is BrCCCCC1=CCCC1.
What is the InChIKey of 1-(4-bromobutyl)cyclopentene?
The InChIKey is QJPKYJHPZYYKCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15Br/c10-8-4-3-7-9-5-1-2-6-9/h5H,1-4,6-8H2.
What are the key properties of 1-(4-bromobutyl)cyclopentene?
1-(4-bromobutyl)cyclopentene has a molecular weight of 203.12 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromobutyl)cyclopentene is sourced from PubChem (CID 14243708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).