1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione

C11H14N2O6 — CID 163420515

IUPAC1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCC(O)ON1C(=O)CCC1O
InChIInChI=1S/C11H14N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2,9,11,16,18H,3-6H2
InChIKeyAIAURMPXWFZYLX-UHFFFAOYSA-N
MW270.24 g/mol
LogP-1.51
Rot. Bonds5

About 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione

1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione (PubChem CID 163420515) has the molecular formula C11H14N2O6 and a molecular weight of 270.24 g/mol. Its IUPAC name is 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione.

Molecular Properties

Compound Name1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione
PubChem CID163420515
Molecular FormulaC11H14N2O6
Molecular Weight270.24 g/mol
Exact Mass270.09
IUPAC Name1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione
SMILESO=C1C=CC(=O)N1CCC(O)ON1C(=O)CCC1O
InChIInChI=1S/C11H14N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2,9,11,16,18H,3-6H2
InChIKeyAIAURMPXWFZYLX-UHFFFAOYSA-N
XLogP-1.51
TPSA107.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 5-1.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione?
The IUPAC name of 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione (CID 163420515) is 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione.
What is the SMILES notation for 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione?
The canonical SMILES for 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione is O=C1C=CC(=O)N1CCC(O)ON1C(=O)CCC1O.
What is the InChIKey of 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione?
The InChIKey is AIAURMPXWFZYLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O6/c14-7-1-2-8(15)12(7)6-5-11(18)19-13-9(16)3-4-10(13)17/h1-2,9,11,16,18H,3-6H2.
What are the key properties of 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione?
1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione has a molecular weight of 270.24 g/mol, XLogP of -1.51, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-hydroxy-3-(2-hydroxy-5-oxopyrrolidin-1-yl)oxypropyl]pyrrole-2,5-dione is sourced from PubChem (CID 163420515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).