3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol

C11H21NO5 — CID 175121751

IUPAC3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol
SMILESC=CC1CCN(CCO)C1=O.OCC(O)CO
InChIInChI=1S/C8H13NO2.C3H8O3/c1-2-7-3-4-9(5-6-10)8(7)11;4-1-3(6)2-5/h2,7,10H,1,3-6H2;3-6H,1-2H2
InChIKeyBAJHMZPLUPCFMU-UHFFFAOYSA-N
MW247.29 g/mol
LogP-1.65
Rot. Bonds5

About 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol

3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol (PubChem CID 175121751) has the molecular formula C11H21NO5 and a molecular weight of 247.29 g/mol. Its IUPAC name is 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol.

Molecular Properties

Compound Name3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol
PubChem CID175121751
Molecular FormulaC11H21NO5
Molecular Weight247.29 g/mol
Exact Mass247.14
IUPAC Name3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol
SMILESC=CC1CCN(CCO)C1=O.OCC(O)CO
InChIInChI=1S/C8H13NO2.C3H8O3/c1-2-7-3-4-9(5-6-10)8(7)11;4-1-3(6)2-5/h2,7,10H,1,3-6H2;3-6H,1-2H2
InChIKeyBAJHMZPLUPCFMU-UHFFFAOYSA-N
XLogP-1.65
TPSA101.23 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 5-1.65
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol?
The IUPAC name of 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol (CID 175121751) is 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol.
What is the SMILES notation for 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol?
The canonical SMILES for 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol is C=CC1CCN(CCO)C1=O.OCC(O)CO.
What is the InChIKey of 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol?
The InChIKey is BAJHMZPLUPCFMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13NO2.C3H8O3/c1-2-7-3-4-9(5-6-10)8(7)11;4-1-3(6)2-5/h2,7,10H,1,3-6H2;3-6H,1-2H2.
What are the key properties of 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol?
3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol has a molecular weight of 247.29 g/mol, XLogP of -1.65, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one;propane-1,2,3-triol is sourced from PubChem (CID 175121751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).