spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one

C9H10O3 — CID 85255437

IUPACspiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one
SMILESO=C1C=CC2(OCCO2)C2CC12
InChIInChI=1S/C9H10O3/c10-8-1-2-9(7-5-6(7)8)11-3-4-12-9/h1-2,6-7H,3-5H2
InChIKeyRLNSMSLAYCLPQQ-UHFFFAOYSA-N
MW166.18 g/mol
LogP0.50
Rot. Bonds

About spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one

spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one (PubChem CID 85255437) has the molecular formula C9H10O3 and a molecular weight of 166.18 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one
PubChem CID85255437
Molecular FormulaC9H10O3
Molecular Weight166.18 g/mol
Exact Mass166.06
IUPAC Namespiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one
SMILESO=C1C=CC2(OCCO2)C2CC12
InChIInChI=1S/C9H10O3/c10-8-1-2-9(7-5-6(7)8)11-3-4-12-9/h1-2,6-7H,3-5H2
InChIKeyRLNSMSLAYCLPQQ-UHFFFAOYSA-N
XLogP0.50
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.18
LogP ≤ 50.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one (CID 85255437) is spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one is O=C1C=CC2(OCCO2)C2CC12.
What is the InChIKey of spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one?
The InChIKey is RLNSMSLAYCLPQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10O3/c10-8-1-2-9(7-5-6(7)8)11-3-4-12-9/h1-2,6-7H,3-5H2.
What are the key properties of spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one?
spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one has a molecular weight of 166.18 g/mol, XLogP of 0.50, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,5'-bicyclo[4.1.0]hept-3-ene]-2'-one is sourced from PubChem (CID 85255437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).