2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione

C14H13NO5 — CID 118387975

IUPAC2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1COC2C(O)COC21
InChIInChI=1S/C14H13NO5/c16-10-6-20-11-9(5-19-12(10)11)15-13(17)7-3-1-2-4-8(7)14(15)18/h1-4,9-12,16H,5-6H2
InChIKeyIXTMNQDIPCEWJF-UHFFFAOYSA-N
MW275.26 g/mol
LogP-0.19
Rot. Bonds1

About 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione

2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione (PubChem CID 118387975) has the molecular formula C14H13NO5 and a molecular weight of 275.26 g/mol. Its IUPAC name is 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione.

Molecular Properties

Compound Name2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione
PubChem CID118387975
Molecular FormulaC14H13NO5
Molecular Weight275.26 g/mol
Exact Mass275.08
IUPAC Name2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1C1COC2C(O)COC21
InChIInChI=1S/C14H13NO5/c16-10-6-20-11-9(5-19-12(10)11)15-13(17)7-3-1-2-4-8(7)14(15)18/h1-4,9-12,16H,5-6H2
InChIKeyIXTMNQDIPCEWJF-UHFFFAOYSA-N
XLogP-0.19
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.26
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione?
The IUPAC name of 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione (CID 118387975) is 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione.
What is the SMILES notation for 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione?
The canonical SMILES for 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1C1COC2C(O)COC21.
What is the InChIKey of 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione?
The InChIKey is IXTMNQDIPCEWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13NO5/c16-10-6-20-11-9(5-19-12(10)11)15-13(17)7-3-1-2-4-8(7)14(15)18/h1-4,9-12,16H,5-6H2.
What are the key properties of 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione?
2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione has a molecular weight of 275.26 g/mol, XLogP of -0.19, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-hydroxy-2,3,3a,5,6,6a-hexahydrofuro[3,2-b]furan-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 118387975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).