ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione

C6H11NO5 — CID 118323110

IUPACethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione
SMILESO=C1CC(O)C(=O)N1.OCCO
InChIInChI=1S/C4H5NO3.C2H6O2/c6-2-1-3(7)5-4(2)8;3-1-2-4/h2,6H,1H2,(H,5,7,8);3-4H,1-2H2
InChIKeyYYRHRBSXTHCTKL-UHFFFAOYSA-N
MW177.16 g/mol
LogP-2.64
Rot. Bonds1

About ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione

ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione (PubChem CID 118323110) has the molecular formula C6H11NO5 and a molecular weight of 177.16 g/mol. Its IUPAC name is ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione.

Molecular Properties

Compound Nameethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione
PubChem CID118323110
Molecular FormulaC6H11NO5
Molecular Weight177.16 g/mol
Exact Mass177.06
IUPAC Nameethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione
SMILESO=C1CC(O)C(=O)N1.OCCO
InChIInChI=1S/C4H5NO3.C2H6O2/c6-2-1-3(7)5-4(2)8;3-1-2-4/h2,6H,1H2,(H,5,7,8);3-4H,1-2H2
InChIKeyYYRHRBSXTHCTKL-UHFFFAOYSA-N
XLogP-2.64
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500177.16
LogP ≤ 5-2.64
H-Bond Donors ≤ 54
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 ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione?
The IUPAC name of ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione (CID 118323110) is ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione.
What is the SMILES notation for ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione?
The canonical SMILES for ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione is O=C1CC(O)C(=O)N1.OCCO.
What is the InChIKey of ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione?
The InChIKey is YYRHRBSXTHCTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO3.C2H6O2/c6-2-1-3(7)5-4(2)8;3-1-2-4/h2,6H,1H2,(H,5,7,8);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione?
ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione has a molecular weight of 177.16 g/mol, XLogP of -2.64, 1 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;3-hydroxypyrrolidine-2,5-dione is sourced from PubChem (CID 118323110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).