2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione

C15H15NO5 — CID 25211441

IUPAC2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1C[C@H](O)C[C@H](CCN2C(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C15H15NO5/c17-9-7-10(21-13(18)8-9)5-6-16-14(19)11-3-1-2-4-12(11)15(16)20/h1-4,9-10,17H,5-8H2/t9-,10+/m1/s1
InChIKeyXMQWKMVXXZHDAV-ZJUUUORDSA-N
MW289.29 g/mol
LogP0.74
Rot. Bonds3

About 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione

2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione (PubChem CID 25211441) has the molecular formula C15H15NO5 and a molecular weight of 289.29 g/mol. Its IUPAC name is 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
PubChem CID25211441
Molecular FormulaC15H15NO5
Molecular Weight289.29 g/mol
Exact Mass289.10
IUPAC Name2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione
SMILESO=C1C[C@H](O)C[C@H](CCN2C(=O)c3ccccc3C2=O)O1
InChIInChI=1S/C15H15NO5/c17-9-7-10(21-13(18)8-9)5-6-16-14(19)11-3-1-2-4-12(11)15(16)20/h1-4,9-10,17H,5-8H2/t9-,10+/m1/s1
InChIKeyXMQWKMVXXZHDAV-ZJUUUORDSA-N
XLogP0.74
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.29
LogP ≤ 50.74
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-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione?
The IUPAC name of 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione (CID 25211441) is 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione?
The canonical SMILES for 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione is O=C1C[C@H](O)C[C@H](CCN2C(=O)c3ccccc3C2=O)O1.
What is the InChIKey of 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione?
The InChIKey is XMQWKMVXXZHDAV-ZJUUUORDSA-N. The full InChI is InChI=1S/C15H15NO5/c17-9-7-10(21-13(18)8-9)5-6-16-14(19)11-3-1-2-4-12(11)15(16)20/h1-4,9-10,17H,5-8H2/t9-,10+/m1/s1.
What are the key properties of 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione?
2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione has a molecular weight of 289.29 g/mol, XLogP of 0.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(2S,4R)-4-hydroxy-6-oxooxan-2-yl]ethyl]isoindole-1,3-dione is sourced from PubChem (CID 25211441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).