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

C8H10O — CID 548744

IUPACspiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane]
SMILESC1=CC2CC1CC21CO1
InChIInChI=1S/C8H10O/c1-2-7-3-6(1)4-8(7)5-9-8/h1-2,6-7H,3-5H2
InChIKeyUFLUJIBEANMRJD-UHFFFAOYSA-N
MW122.17 g/mol
LogP1.35
Rot. Bonds

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

spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane] (PubChem CID 548744) has the molecular formula C8H10O and a molecular weight of 122.17 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane].

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane]
PubChem CID548744
Molecular FormulaC8H10O
Molecular Weight122.17 g/mol
Exact Mass122.07
IUPAC Namespiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane]
SMILESC1=CC2CC1CC21CO1
InChIInChI=1S/C8H10O/c1-2-7-3-6(1)4-8(7)5-9-8/h1-2,6-7H,3-5H2
InChIKeyUFLUJIBEANMRJD-UHFFFAOYSA-N
XLogP1.35
TPSA12.53 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.17
LogP ≤ 51.35
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'-oxirane] with MolForge

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

Launch Full Analysis

Related Compounds

2-{Bicyclo[2.2.1]hept-5-en-2-yl}oxirane
CID 247190
5-(Methoxymethyl)norbornene
CID 18400387
(4S,7S)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
CID 11240580
(4R,7R)-4,7-bis(ethenyl)-1-oxaspiro[2.4]heptane
CID 15111625
5-Methoxy-5-methylbicyclo[2.2.1]hept-2-ene
CID 12607821
5-Ethoxy-5-methylbicyclo[2.2.1]hept-2-ene
CID 12607822
2-[2-(2-Bicyclo[2.2.1]hept-5-enyl)ethyl]oxirane
CID 18410369
5-Methoxy-6-methylbicyclo[2.2.1]hept-2-ene
CID 22336771
5-Methoxy-6-(methoxymethyl)bicyclo[2.2.1]hept-2-ene
CID 22754150
5-[(Ethenyloxy)methyl]bicyclo[2.2.1]hept-2-ene
CID 23119546
Spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxolane]
CID 23555997
2-Bicyclo[2.2.1]hept-5-enylmethanolate
CID 57689400

Frequently Asked Questions

What is the IUPAC name of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane]?
The IUPAC name of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane] (CID 548744) is spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane].
What is the SMILES notation for spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane]?
The canonical SMILES for spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane] is C1=CC2CC1CC21CO1.
What is the InChIKey of spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane]?
The InChIKey is UFLUJIBEANMRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10O/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'-oxirane]?
spiro[bicyclo[2.2.1]hept-2-ene-5,2'-oxirane] has a molecular weight of 122.17 g/mol, XLogP of 1.35, 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'-oxirane] is sourced from PubChem (CID 548744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).