3-chlorocyclopentene

C5H7Cl — CID 7297

IUPAC3-chlorocyclopentene
SMILESClC1C=CCC1
InChIInChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h1,3,5H,2,4H2
InChIKeyLPSWJRSLXCPGBK-UHFFFAOYSA-N
MW102.56 g/mol
LogP1.94
Rot. Bonds

About 3-chlorocyclopentene

3-chlorocyclopentene (PubChem CID 7297) has the molecular formula C5H7Cl and a molecular weight of 102.56 g/mol. Its IUPAC name is 3-chlorocyclopentene.

Molecular Properties

Compound Name3-chlorocyclopentene
PubChem CID7297
Molecular FormulaC5H7Cl
Molecular Weight102.56 g/mol
Exact Mass102.02
IUPAC Name3-chlorocyclopentene
SMILESClC1C=CCC1
InChIInChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h1,3,5H,2,4H2
InChIKeyLPSWJRSLXCPGBK-UHFFFAOYSA-N
XLogP1.94
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.56
LogP ≤ 51.94
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 3-chlorocyclopentene?
The IUPAC name of 3-chlorocyclopentene (CID 7297) is 3-chlorocyclopentene.
What is the SMILES notation for 3-chlorocyclopentene?
The canonical SMILES for 3-chlorocyclopentene is ClC1C=CCC1.
What is the InChIKey of 3-chlorocyclopentene?
The InChIKey is LPSWJRSLXCPGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7Cl/c6-5-3-1-2-4-5/h1,3,5H,2,4H2.
What are the key properties of 3-chlorocyclopentene?
3-chlorocyclopentene has a molecular weight of 102.56 g/mol, XLogP of 1.94, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorocyclopentene is sourced from PubChem (CID 7297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).