spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one

C10H12O2 — CID 164728076

IUPACspiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one
SMILESO=C1COC2(C1)CC1C=CC2C1
InChIInChI=1S/C10H12O2/c11-9-5-10(12-6-9)4-7-1-2-8(10)3-7/h1-2,7-8H,3-6H2
InChIKeyWHXMIABJERIZBJ-UHFFFAOYSA-N
MW164.20 g/mol
LogP1.31
Rot. Bonds

About spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one

spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one (PubChem CID 164728076) has the molecular formula C10H12O2 and a molecular weight of 164.20 g/mol. Its IUPAC name is spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one.

Molecular Properties

Compound Namespiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one
PubChem CID164728076
Molecular FormulaC10H12O2
Molecular Weight164.20 g/mol
Exact Mass164.08
IUPAC Namespiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one
SMILESO=C1COC2(C1)CC1C=CC2C1
InChIInChI=1S/C10H12O2/c11-9-5-10(12-6-9)4-7-1-2-8(10)3-7/h1-2,7-8H,3-6H2
InChIKeyWHXMIABJERIZBJ-UHFFFAOYSA-N
XLogP1.31
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.20
LogP ≤ 51.31
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 spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one?
The IUPAC name of spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one (CID 164728076) is spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one.
What is the SMILES notation for spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one?
The canonical SMILES for spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one is O=C1COC2(C1)CC1C=CC2C1.
What is the InChIKey of spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one?
The InChIKey is WHXMIABJERIZBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12O2/c11-9-5-10(12-6-9)4-7-1-2-8(10)3-7/h1-2,7-8H,3-6H2.
What are the key properties of spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one?
spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one has a molecular weight of 164.20 g/mol, XLogP of 1.31, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[bicyclo[2.2.1]hept-2-ene-5,5'-oxolane]-3'-one is sourced from PubChem (CID 164728076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).