5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene

C9H12O2S — CID 21271353

IUPAC5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene
SMILESC=CS(=O)(=O)C1CC2C=CC1C2
InChIInChI=1S/C9H12O2S/c1-2-12(10,11)9-6-7-3-4-8(9)5-7/h2-4,7-9H,1,5-6H2
InChIKeyVYHAZPUIUJYIFH-UHFFFAOYSA-N
MW184.26 g/mol
LogP1.51
Rot. Bonds2

About 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene

5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene (PubChem CID 21271353) has the molecular formula C9H12O2S and a molecular weight of 184.26 g/mol. Its IUPAC name is 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene.

Molecular Properties

Compound Name5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene
PubChem CID21271353
Molecular FormulaC9H12O2S
Molecular Weight184.26 g/mol
Exact Mass184.06
IUPAC Name5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene
SMILESC=CS(=O)(=O)C1CC2C=CC1C2
InChIInChI=1S/C9H12O2S/c1-2-12(10,11)9-6-7-3-4-8(9)5-7/h2-4,7-9H,1,5-6H2
InChIKeyVYHAZPUIUJYIFH-UHFFFAOYSA-N
XLogP1.51
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.26
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene?
The IUPAC name of 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene (CID 21271353) is 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene.
What is the SMILES notation for 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene?
The canonical SMILES for 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene is C=CS(=O)(=O)C1CC2C=CC1C2.
What is the InChIKey of 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene?
The InChIKey is VYHAZPUIUJYIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12O2S/c1-2-12(10,11)9-6-7-3-4-8(9)5-7/h2-4,7-9H,1,5-6H2.
What are the key properties of 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene?
5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene has a molecular weight of 184.26 g/mol, XLogP of 1.51, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenylsulfonylbicyclo[2.2.1]hept-2-ene is sourced from PubChem (CID 21271353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).