1-prop-2-enylsulfinylcyclopentene

C8H12OS — CID 67229215

IUPAC1-prop-2-enylsulfinylcyclopentene
SMILESC=CCS(=O)C1=CCCC1
InChIInChI=1S/C8H12OS/c1-2-7-10(9)8-5-3-4-6-8/h2,5H,1,3-4,6-7H2
InChIKeyQOVYEBSUBXREJI-UHFFFAOYSA-N
MW156.25 g/mol
LogP1.99
Rot. Bonds3

About 1-prop-2-enylsulfinylcyclopentene

1-prop-2-enylsulfinylcyclopentene (PubChem CID 67229215) has the molecular formula C8H12OS and a molecular weight of 156.25 g/mol. Its IUPAC name is 1-prop-2-enylsulfinylcyclopentene.

Molecular Properties

Compound Name1-prop-2-enylsulfinylcyclopentene
PubChem CID67229215
Molecular FormulaC8H12OS
Molecular Weight156.25 g/mol
Exact Mass156.06
IUPAC Name1-prop-2-enylsulfinylcyclopentene
SMILESC=CCS(=O)C1=CCCC1
InChIInChI=1S/C8H12OS/c1-2-7-10(9)8-5-3-4-6-8/h2,5H,1,3-4,6-7H2
InChIKeyQOVYEBSUBXREJI-UHFFFAOYSA-N
XLogP1.99
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enylsulfinylcyclopentene?
The IUPAC name of 1-prop-2-enylsulfinylcyclopentene (CID 67229215) is 1-prop-2-enylsulfinylcyclopentene.
What is the SMILES notation for 1-prop-2-enylsulfinylcyclopentene?
The canonical SMILES for 1-prop-2-enylsulfinylcyclopentene is C=CCS(=O)C1=CCCC1.
What is the InChIKey of 1-prop-2-enylsulfinylcyclopentene?
The InChIKey is QOVYEBSUBXREJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12OS/c1-2-7-10(9)8-5-3-4-6-8/h2,5H,1,3-4,6-7H2.
What are the key properties of 1-prop-2-enylsulfinylcyclopentene?
1-prop-2-enylsulfinylcyclopentene has a molecular weight of 156.25 g/mol, XLogP of 1.99, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enylsulfinylcyclopentene is sourced from PubChem (CID 67229215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).