2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one

C12H15NO5 — CID 79021162

IUPAC2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
SMILESO=C(COc1coc(CO)cc1=O)N1CCCC1
InChIInChI=1S/C12H15NO5/c14-6-9-5-10(15)11(7-17-9)18-8-12(16)13-3-1-2-4-13/h5,7,14H,1-4,6,8H2
InChIKeyLTBOPGVAVGEORE-UHFFFAOYSA-N
MW253.25 g/mol
LogP0.13
Rot. Bonds4

About 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one

2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one (PubChem CID 79021162) has the molecular formula C12H15NO5 and a molecular weight of 253.25 g/mol. Its IUPAC name is 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one.

Molecular Properties

Compound Name2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
PubChem CID79021162
Molecular FormulaC12H15NO5
Molecular Weight253.25 g/mol
Exact Mass253.10
IUPAC Name2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one
SMILESO=C(COc1coc(CO)cc1=O)N1CCCC1
InChIInChI=1S/C12H15NO5/c14-6-9-5-10(15)11(7-17-9)18-8-12(16)13-3-1-2-4-13/h5,7,14H,1-4,6,8H2
InChIKeyLTBOPGVAVGEORE-UHFFFAOYSA-N
XLogP0.13
TPSA79.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.25
LogP ≤ 50.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one?
The IUPAC name of 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one (CID 79021162) is 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one.
What is the SMILES notation for 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one?
The canonical SMILES for 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one is O=C(COc1coc(CO)cc1=O)N1CCCC1.
What is the InChIKey of 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one?
The InChIKey is LTBOPGVAVGEORE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5/c14-6-9-5-10(15)11(7-17-9)18-8-12(16)13-3-1-2-4-13/h5,7,14H,1-4,6,8H2.
What are the key properties of 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one?
2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one has a molecular weight of 253.25 g/mol, XLogP of 0.13, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(hydroxymethyl)-5-(2-oxo-2-pyrrolidin-1-ylethoxy)pyran-4-one is sourced from PubChem (CID 79021162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).