spiro[indene-2,2'-oxirane]-1,3-dione

C10H6O3 — CID 20739732

IUPACspiro[indene-2,2'-oxirane]-1,3-dione
SMILESO=C1c2ccccc2C(=O)C12CO2
InChIInChI=1S/C10H6O3/c11-8-6-3-1-2-4-7(6)9(12)10(8)5-13-10/h1-4H,5H2
InChIKeySYBSXIVLLCRNLB-UHFFFAOYSA-N
MW174.16 g/mol
LogP0.83
Rot. Bonds

About spiro[indene-2,2'-oxirane]-1,3-dione

spiro[indene-2,2'-oxirane]-1,3-dione (PubChem CID 20739732) has the molecular formula C10H6O3 and a molecular weight of 174.16 g/mol. Its IUPAC name is spiro[indene-2,2'-oxirane]-1,3-dione.

Molecular Properties

Compound Namespiro[indene-2,2'-oxirane]-1,3-dione
PubChem CID20739732
Molecular FormulaC10H6O3
Molecular Weight174.16 g/mol
Exact Mass174.03
IUPAC Namespiro[indene-2,2'-oxirane]-1,3-dione
SMILESO=C1c2ccccc2C(=O)C12CO2
InChIInChI=1S/C10H6O3/c11-8-6-3-1-2-4-7(6)9(12)10(8)5-13-10/h1-4H,5H2
InChIKeySYBSXIVLLCRNLB-UHFFFAOYSA-N
XLogP0.83
TPSA46.67 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.16
LogP ≤ 50.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

(1',3'-dioxospiro[2,5-dihydropyran-6,2'-indene]-2-yl) acetate
CID 15584921
1a,7a-diaminonaphtho[2,3-b]oxirene-2,7-dione
CID 163884813
spiro[indene-2,3'-oxathiirane]-1,3-dione
CID 102009407
3'-phenylspiro[indene-2,2'-oxirane]-1,3-dione
CID 3142214
3,3-difluoro-2H-chromen-4-one
CID 156711266
spiro[9,13-dioxatricyclo[13.4.0.02,7]nonadeca-1(19),2,4,6,15,17-hexaene-11,3'-dioxirane]-8,14-dione
CID 20750593
2-benzofuran-1,3-dione
CID 123741998
2-benzofuran-1,3-dione
CID 163894732
3-methyl-3-sulfanyl-2H-chromen-4-one
CID 174301602
(10S)-2,2-dimethylspiro[3,4-dihydrobenzo[g]chromene-10,2'-oxirane]-5-one
CID 139058671
2-ethoxy-3-methylspiro[2,5-dihydropyran-6,2'-indene]-1',3'-dione
CID 15264117
2,2,3,3-tetrahydroxyinden-1-one
CID 141431232

Frequently Asked Questions

What is the IUPAC name of spiro[indene-2,2'-oxirane]-1,3-dione?
The IUPAC name of spiro[indene-2,2'-oxirane]-1,3-dione (CID 20739732) is spiro[indene-2,2'-oxirane]-1,3-dione.
What is the SMILES notation for spiro[indene-2,2'-oxirane]-1,3-dione?
The canonical SMILES for spiro[indene-2,2'-oxirane]-1,3-dione is O=C1c2ccccc2C(=O)C12CO2.
What is the InChIKey of spiro[indene-2,2'-oxirane]-1,3-dione?
The InChIKey is SYBSXIVLLCRNLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6O3/c11-8-6-3-1-2-4-7(6)9(12)10(8)5-13-10/h1-4H,5H2.
What are the key properties of spiro[indene-2,2'-oxirane]-1,3-dione?
spiro[indene-2,2'-oxirane]-1,3-dione has a molecular weight of 174.16 g/mol, XLogP of 0.83, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[indene-2,2'-oxirane]-1,3-dione is sourced from PubChem (CID 20739732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).