5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione

C17H10O7 — CID 59721644

IUPAC5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione
SMILESO=C(C1=CC2C(=O)OC(=O)C2C=C1)C1=CC2C(=O)OC(=O)C2C=C1
InChIInChI=1S/C17H10O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6,9-12H
InChIKeyGPZURBCDXSPOMC-UHFFFAOYSA-N
MW326.26 g/mol
LogP0.18
Rot. Bonds2

About 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione

5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione (PubChem CID 59721644) has the molecular formula C17H10O7 and a molecular weight of 326.26 g/mol. Its IUPAC name is 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione.

Molecular Properties

Compound Name5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione
PubChem CID59721644
Molecular FormulaC17H10O7
Molecular Weight326.26 g/mol
Exact Mass326.04
IUPAC Name5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione
SMILESO=C(C1=CC2C(=O)OC(=O)C2C=C1)C1=CC2C(=O)OC(=O)C2C=C1
InChIInChI=1S/C17H10O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6,9-12H
InChIKeyGPZURBCDXSPOMC-UHFFFAOYSA-N
XLogP0.18
TPSA103.81 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.26
LogP ≤ 50.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione?
The IUPAC name of 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione (CID 59721644) is 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione.
What is the SMILES notation for 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione?
The canonical SMILES for 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione is O=C(C1=CC2C(=O)OC(=O)C2C=C1)C1=CC2C(=O)OC(=O)C2C=C1.
What is the InChIKey of 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione?
The InChIKey is GPZURBCDXSPOMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10O7/c18-13(7-1-3-9-11(5-7)16(21)23-14(9)19)8-2-4-10-12(6-8)17(22)24-15(10)20/h1-6,9-12H.
What are the key properties of 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione?
5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione has a molecular weight of 326.26 g/mol, XLogP of 0.18, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dioxo-3a,7a-dihydro-2-benzofuran-5-carbonyl)-3a,7a-dihydro-2-benzofuran-1,3-dione is sourced from PubChem (CID 59721644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).