cyclopentene-1-sulfonic acid

C5H8O3S — CID 15209714

IUPACcyclopentene-1-sulfonic acid
SMILESO=S(=O)(O)C1=CCCC1
InChIInChI=1S/C5H8O3S/c6-9(7,8)5-3-1-2-4-5/h3H,1-2,4H2,(H,6,7,8)
InChIKeyBPAOTBVCKZJFDZ-UHFFFAOYSA-N
MW148.18 g/mol
LogP0.94
Rot. Bonds1

About cyclopentene-1-sulfonic acid

cyclopentene-1-sulfonic acid (PubChem CID 15209714) has the molecular formula C5H8O3S and a molecular weight of 148.18 g/mol. Its IUPAC name is cyclopentene-1-sulfonic acid.

Molecular Properties

Compound Namecyclopentene-1-sulfonic acid
PubChem CID15209714
Molecular FormulaC5H8O3S
Molecular Weight148.18 g/mol
Exact Mass148.02
IUPAC Namecyclopentene-1-sulfonic acid
SMILESO=S(=O)(O)C1=CCCC1
InChIInChI=1S/C5H8O3S/c6-9(7,8)5-3-1-2-4-5/h3H,1-2,4H2,(H,6,7,8)
InChIKeyBPAOTBVCKZJFDZ-UHFFFAOYSA-N
XLogP0.94
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.18
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of cyclopentene-1-sulfonic acid?
The IUPAC name of cyclopentene-1-sulfonic acid (CID 15209714) is cyclopentene-1-sulfonic acid.
What is the SMILES notation for cyclopentene-1-sulfonic acid?
The canonical SMILES for cyclopentene-1-sulfonic acid is O=S(=O)(O)C1=CCCC1.
What is the InChIKey of cyclopentene-1-sulfonic acid?
The InChIKey is BPAOTBVCKZJFDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O3S/c6-9(7,8)5-3-1-2-4-5/h3H,1-2,4H2,(H,6,7,8).
What are the key properties of cyclopentene-1-sulfonic acid?
cyclopentene-1-sulfonic acid has a molecular weight of 148.18 g/mol, XLogP of 0.94, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentene-1-sulfonic acid is sourced from PubChem (CID 15209714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).