5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione

C13H10O5 — CID 12925972

IUPAC5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione
SMILESCC(=O)c1ccc2c(c1)C(=O)C1(CCOC1=O)O2
InChIInChI=1S/C13H10O5/c1-7(14)8-2-3-10-9(6-8)11(15)13(18-10)4-5-17-12(13)16/h2-3,6H,4-5H2,1H3
InChIKeyMVOUQENOPNLEHG-UHFFFAOYSA-N
MW246.22 g/mol
LogP1.15
Rot. Bonds1

About 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione

5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione (PubChem CID 12925972) has the molecular formula C13H10O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione.

Molecular Properties

Compound Name5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione
PubChem CID12925972
Molecular FormulaC13H10O5
Molecular Weight246.22 g/mol
Exact Mass246.05
IUPAC Name5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione
SMILESCC(=O)c1ccc2c(c1)C(=O)C1(CCOC1=O)O2
InChIInChI=1S/C13H10O5/c1-7(14)8-2-3-10-9(6-8)11(15)13(18-10)4-5-17-12(13)16/h2-3,6H,4-5H2,1H3
InChIKeyMVOUQENOPNLEHG-UHFFFAOYSA-N
XLogP1.15
TPSA69.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

5-(2-Methoxyphenyl)-2-furoic acid
CID 776315
Dechlorogriseofulvin
CID 24066885
2-[4-[(Z)-[6-(cyclopropylmethoxy)-3-oxo-1-benzofuran-2-ylidene]methyl]-2,6-dimethylphenoxy]-2-methylpropanoic acid
CID 147877302
2',4,6-Trimethoxy-6'-methyl-3H-spiro[1-benzofuran-2,1'-cyclohex[2]ene]-3,4'-dione
CID 94273
5-Acetylspiro(benzofuran-2(3H),1'-cyclopropan)-3-one
CID 71755
Ethyl 4-(acetyloxy)-3-methyl-1-benzofuran-2-carboxylate
CID 790878
4H-1-Benzopyran-2-carboxylic acid, 6-methyl-4-oxo-, ethyl ester
CID 217218
5-(5-Formylfuran-2-yl)-2-hydroxybenzoic acid
CID 825547
3-(2-furoyl)-6-methyl-4H-chromen-4-one
CID 776045
2-Acetyl-4-methylphenyl furan-2-carboxylate
CID 776233
Methyl 5-{[(4-oxo-1,2,3,4-tetrahydrocyclopenta[c]chromen-7-yl)oxy]methyl}-2-furoate
CID 2055778
Methyl 5-[2-(2,4-dihydroxyphenyl)-2-oxoethyl]furan-2-carboxylate
CID 928629

Frequently Asked Questions

What is the IUPAC name of 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione?
The IUPAC name of 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione (CID 12925972) is 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione.
What is the SMILES notation for 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione?
The canonical SMILES for 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione is CC(=O)c1ccc2c(c1)C(=O)C1(CCOC1=O)O2.
What is the InChIKey of 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione?
The InChIKey is MVOUQENOPNLEHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O5/c1-7(14)8-2-3-10-9(6-8)11(15)13(18-10)4-5-17-12(13)16/h2-3,6H,4-5H2,1H3.
What are the key properties of 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione?
5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione has a molecular weight of 246.22 g/mol, XLogP of 1.15, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetylspiro[1-benzofuran-2,3'-oxolane]-2',3-dione is sourced from PubChem (CID 12925972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).