3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one

C10H15NO5 — CID 85085745

IUPAC3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one
SMILESCOC1CC(O)C(=O)N1C1OCC=C1CO
InChIInChI=1S/C10H15NO5/c1-15-8-4-7(13)9(14)11(8)10-6(5-12)2-3-16-10/h2,7-8,10,12-13H,3-5H2,1H3
InChIKeyBYYUDMWOSMIJGZ-UHFFFAOYSA-N
MW229.23 g/mol
LogP-1.17
Rot. Bonds3

About 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one

3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one (PubChem CID 85085745) has the molecular formula C10H15NO5 and a molecular weight of 229.23 g/mol. Its IUPAC name is 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one.

Molecular Properties

Compound Name3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one
PubChem CID85085745
Molecular FormulaC10H15NO5
Molecular Weight229.23 g/mol
Exact Mass229.10
IUPAC Name3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one
SMILESCOC1CC(O)C(=O)N1C1OCC=C1CO
InChIInChI=1S/C10H15NO5/c1-15-8-4-7(13)9(14)11(8)10-6(5-12)2-3-16-10/h2,7-8,10,12-13H,3-5H2,1H3
InChIKeyBYYUDMWOSMIJGZ-UHFFFAOYSA-N
XLogP-1.17
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.23
LogP ≤ 5-1.17
H-Bond Donors ≤ 52
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-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one?
The IUPAC name of 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one (CID 85085745) is 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one.
What is the SMILES notation for 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one?
The canonical SMILES for 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one is COC1CC(O)C(=O)N1C1OCC=C1CO.
What is the InChIKey of 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one?
The InChIKey is BYYUDMWOSMIJGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NO5/c1-15-8-4-7(13)9(14)11(8)10-6(5-12)2-3-16-10/h2,7-8,10,12-13H,3-5H2,1H3.
What are the key properties of 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one?
3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one has a molecular weight of 229.23 g/mol, XLogP of -1.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-1-[3-(hydroxymethyl)-2,5-dihydrofuran-2-yl]-5-methoxypyrrolidin-2-one is sourced from PubChem (CID 85085745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).