propane-1,2,3-triol;pyrrolidine-2,5-dione

C7H13NO5 — CID 18377857

IUPACpropane-1,2,3-triol;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.OCC(O)CO
InChIInChI=1S/C4H5NO2.C3H8O3/c6-3-1-2-4(7)5-3;4-1-3(6)2-5/h1-2H2,(H,5,6,7);3-6H,1-2H2
InChIKeySASGLDGKXITLFG-UHFFFAOYSA-N
MW191.18 g/mol
LogP-2.25
Rot. Bonds2

About propane-1,2,3-triol;pyrrolidine-2,5-dione

propane-1,2,3-triol;pyrrolidine-2,5-dione (PubChem CID 18377857) has the molecular formula C7H13NO5 and a molecular weight of 191.18 g/mol. Its IUPAC name is propane-1,2,3-triol;pyrrolidine-2,5-dione.

Molecular Properties

Compound Namepropane-1,2,3-triol;pyrrolidine-2,5-dione
PubChem CID18377857
Molecular FormulaC7H13NO5
Molecular Weight191.18 g/mol
Exact Mass191.08
IUPAC Namepropane-1,2,3-triol;pyrrolidine-2,5-dione
SMILESO=C1CCC(=O)N1.OCC(O)CO
InChIInChI=1S/C4H5NO2.C3H8O3/c6-3-1-2-4(7)5-3;4-1-3(6)2-5/h1-2H2,(H,5,6,7);3-6H,1-2H2
InChIKeySASGLDGKXITLFG-UHFFFAOYSA-N
XLogP-2.25
TPSA106.86 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.18
LogP ≤ 5-2.25
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 propane-1,2,3-triol;pyrrolidine-2,5-dione?
The IUPAC name of propane-1,2,3-triol;pyrrolidine-2,5-dione (CID 18377857) is propane-1,2,3-triol;pyrrolidine-2,5-dione.
What is the SMILES notation for propane-1,2,3-triol;pyrrolidine-2,5-dione?
The canonical SMILES for propane-1,2,3-triol;pyrrolidine-2,5-dione is O=C1CCC(=O)N1.OCC(O)CO.
What is the InChIKey of propane-1,2,3-triol;pyrrolidine-2,5-dione?
The InChIKey is SASGLDGKXITLFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5NO2.C3H8O3/c6-3-1-2-4(7)5-3;4-1-3(6)2-5/h1-2H2,(H,5,6,7);3-6H,1-2H2.
What are the key properties of propane-1,2,3-triol;pyrrolidine-2,5-dione?
propane-1,2,3-triol;pyrrolidine-2,5-dione has a molecular weight of 191.18 g/mol, XLogP of -2.25, 2 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propane-1,2,3-triol;pyrrolidine-2,5-dione is sourced from PubChem (CID 18377857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).