pent-4-ene-1-sulfonic acid;pyridine

C10H15NO3S — CID 174535826

IUPACpent-4-ene-1-sulfonic acid;pyridine
SMILESC=CCCCS(=O)(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C5H10O3S/c1-2-4-6-5-3-1;1-2-3-4-5-9(6,7)8/h1-5H;2H,1,3-5H2,(H,6,7,8)
InChIKeyXGWALBPPJFAUJM-UHFFFAOYSA-N
MW229.30 g/mol
LogP1.92
Rot. Bonds4

About pent-4-ene-1-sulfonic acid;pyridine

pent-4-ene-1-sulfonic acid;pyridine (PubChem CID 174535826) has the molecular formula C10H15NO3S and a molecular weight of 229.30 g/mol. Its IUPAC name is pent-4-ene-1-sulfonic acid;pyridine.

Molecular Properties

Compound Namepent-4-ene-1-sulfonic acid;pyridine
PubChem CID174535826
Molecular FormulaC10H15NO3S
Molecular Weight229.30 g/mol
Exact Mass229.08
IUPAC Namepent-4-ene-1-sulfonic acid;pyridine
SMILESC=CCCCS(=O)(=O)O.c1ccncc1
InChIInChI=1S/C5H5N.C5H10O3S/c1-2-4-6-5-3-1;1-2-3-4-5-9(6,7)8/h1-5H;2H,1,3-5H2,(H,6,7,8)
InChIKeyXGWALBPPJFAUJM-UHFFFAOYSA-N
XLogP1.92
TPSA67.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.30
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pent-4-ene-1-sulfonic acid;pyridine?
The IUPAC name of pent-4-ene-1-sulfonic acid;pyridine (CID 174535826) is pent-4-ene-1-sulfonic acid;pyridine.
What is the SMILES notation for pent-4-ene-1-sulfonic acid;pyridine?
The canonical SMILES for pent-4-ene-1-sulfonic acid;pyridine is C=CCCCS(=O)(=O)O.c1ccncc1.
What is the InChIKey of pent-4-ene-1-sulfonic acid;pyridine?
The InChIKey is XGWALBPPJFAUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5N.C5H10O3S/c1-2-4-6-5-3-1;1-2-3-4-5-9(6,7)8/h1-5H;2H,1,3-5H2,(H,6,7,8).
What are the key properties of pent-4-ene-1-sulfonic acid;pyridine?
pent-4-ene-1-sulfonic acid;pyridine has a molecular weight of 229.30 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pent-4-ene-1-sulfonic acid;pyridine is sourced from PubChem (CID 174535826), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).