spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one

C11H14O3 — CID 13462737

IUPACspiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one
SMILESO=C1C=CC2CCCC1C21OCCO1
InChIInChI=1S/C11H14O3/c12-10-5-4-8-2-1-3-9(10)11(8)13-6-7-14-11/h4-5,8-9H,1-3,6-7H2
InChIKeyWBAFUWIKXKGUQA-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.28
Rot. Bonds

About spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one

spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one (PubChem CID 13462737) has the molecular formula C11H14O3 and a molecular weight of 194.23 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one
PubChem CID13462737
Molecular FormulaC11H14O3
Molecular Weight194.23 g/mol
Exact Mass194.09
IUPAC Namespiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one
SMILESO=C1C=CC2CCCC1C21OCCO1
InChIInChI=1S/C11H14O3/c12-10-5-4-8-2-1-3-9(10)11(8)13-6-7-14-11/h4-5,8-9H,1-3,6-7H2
InChIKeyWBAFUWIKXKGUQA-UHFFFAOYSA-N
XLogP1.28
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.28
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-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one (CID 13462737) is spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one is O=C1C=CC2CCCC1C21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one?
The InChIKey is WBAFUWIKXKGUQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14O3/c12-10-5-4-8-2-1-3-9(10)11(8)13-6-7-14-11/h4-5,8-9H,1-3,6-7H2.
What are the key properties of spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one?
spiro[1,3-dioxolane-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one has a molecular weight of 194.23 g/mol, XLogP of 1.28, 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-2,9'-bicyclo[3.3.1]non-3-ene]-2'-one is sourced from PubChem (CID 13462737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).