spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]

C8H10S — CID 134855638

IUPACspiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]
SMILESC1=CC2CC1CC21CS1
InChIInChI=1S/C8H10S/c1-2-7-3-6(1)4-8(7)5-9-8/h1-2,6-7H,3-5H2
InChIKeyHAZUIGFIYAUDLJ-UHFFFAOYSA-N
MW138.24 g/mol
LogP2.07
Rot. Bonds

About spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]

spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane] (PubChem CID 134855638) has the molecular formula C8H10S and a molecular weight of 138.24 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane].

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]
PubChem CID134855638
Molecular FormulaC8H10S
Molecular Weight138.24 g/mol
Exact Mass138.05
IUPAC Namespiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]
SMILESC1=CC2CC1CC21CS1
InChIInChI=1S/C8H10S/c1-2-7-3-6(1)4-8(7)5-9-8/h1-2,6-7H,3-5H2
InChIKeyHAZUIGFIYAUDLJ-UHFFFAOYSA-N
XLogP2.07
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.24
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane] with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]?
The IUPAC name of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane] (CID 134855638) is spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane].
What is the SMILES notation for spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]?
The canonical SMILES for spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane] is C1=CC2CC1CC21CS1.
What is the InChIKey of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]?
The InChIKey is HAZUIGFIYAUDLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10S/c1-2-7-3-6(1)4-8(7)5-9-8/h1-2,6-7H,3-5H2.
What are the key properties of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane]?
spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane] has a molecular weight of 138.24 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]hept-2-ene-5,2'-thiirane] is sourced from PubChem (CID 134855638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).