(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate

C15H12O5 — CID 15584921

IUPAC(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate
SMILESCC(=O)OC1C=CCC2(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H12O5/c1-9(16)19-12-7-4-8-15(20-12)13(17)10-5-2-3-6-11(10)14(15)18/h2-7,12H,8H2,1H3
InChIKeyWELVDJGNPJZIJC-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.67
Rot. Bonds1

About (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate

(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate (PubChem CID 15584921) has the molecular formula C15H12O5 and a molecular weight of 272.26 g/mol. Its IUPAC name is (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate.

Molecular Properties

Compound Name(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate
PubChem CID15584921
Molecular FormulaC15H12O5
Molecular Weight272.26 g/mol
Exact Mass272.07
IUPAC Name(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate
SMILESCC(=O)OC1C=CCC2(O1)C(=O)c1ccccc1C2=O
InChIInChI=1S/C15H12O5/c1-9(16)19-12-7-4-8-15(20-12)13(17)10-5-2-3-6-11(10)14(15)18/h2-7,12H,8H2,1H3
InChIKeyWELVDJGNPJZIJC-UHFFFAOYSA-N
XLogP1.67
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'keto_keto_beta_A(68)', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate?
The IUPAC name of (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate (CID 15584921) is (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate.
What is the SMILES notation for (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate?
The canonical SMILES for (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate is CC(=O)OC1C=CCC2(O1)C(=O)c1ccccc1C2=O.
What is the InChIKey of (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate?
The InChIKey is WELVDJGNPJZIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12O5/c1-9(16)19-12-7-4-8-15(20-12)13(17)10-5-2-3-6-11(10)14(15)18/h2-7,12H,8H2,1H3.
What are the key properties of (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate?
(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate has a molecular weight of 272.26 g/mol, XLogP of 1.67, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate is sourced from PubChem (CID 15584921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).