2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione

C13H12N2O4 — CID 134348113

IUPAC2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione
SMILESO=C1CC[C@@H](CON2C(=O)c3ccccc3C2=O)N1
InChIInChI=1S/C13H12N2O4/c16-11-6-5-8(14-11)7-19-15-12(17)9-3-1-2-4-10(9)13(15)18/h1-4,8H,5-7H2,(H,14,16)/t8-/m0/s1
InChIKeyXRNYCPOLQBIMBI-QMMMGPOBSA-N
MW260.25 g/mol
LogP0.49
Rot. Bonds3

About 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione

2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione (PubChem CID 134348113) has the molecular formula C13H12N2O4 and a molecular weight of 260.25 g/mol. Its IUPAC name is 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione
PubChem CID134348113
Molecular FormulaC13H12N2O4
Molecular Weight260.25 g/mol
Exact Mass260.08
IUPAC Name2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione
SMILESO=C1CC[C@@H](CON2C(=O)c3ccccc3C2=O)N1
InChIInChI=1S/C13H12N2O4/c16-11-6-5-8(14-11)7-19-15-12(17)9-3-1-2-4-10(9)13(15)18/h1-4,8H,5-7H2,(H,14,16)/t8-/m0/s1
InChIKeyXRNYCPOLQBIMBI-QMMMGPOBSA-N
XLogP0.49
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.25
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione?
The IUPAC name of 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione (CID 134348113) is 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione.
What is the SMILES notation for 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione?
The canonical SMILES for 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione is O=C1CC[C@@H](CON2C(=O)c3ccccc3C2=O)N1.
What is the InChIKey of 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione?
The InChIKey is XRNYCPOLQBIMBI-QMMMGPOBSA-N. The full InChI is InChI=1S/C13H12N2O4/c16-11-6-5-8(14-11)7-19-15-12(17)9-3-1-2-4-10(9)13(15)18/h1-4,8H,5-7H2,(H,14,16)/t8-/m0/s1.
What are the key properties of 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione?
2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione has a molecular weight of 260.25 g/mol, XLogP of 0.49, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2S)-5-oxopyrrolidin-2-yl]methoxy]isoindole-1,3-dione is sourced from PubChem (CID 134348113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).