5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one

C11H15NO4 — CID 62372434

IUPAC5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CCC(CO)C2)occ1O
InChIInChI=1S/C11H15NO4/c13-6-8-1-2-12(4-8)5-9-3-10(14)11(15)7-16-9/h3,7-8,13,15H,1-2,4-6H2
InChIKeyDELGWANZBQZIRL-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.16
Rot. Bonds3

About 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one

5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one (PubChem CID 62372434) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one.

Molecular Properties

Compound Name5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one
PubChem CID62372434
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one
SMILESO=c1cc(CN2CCC(CO)C2)occ1O
InChIInChI=1S/C11H15NO4/c13-6-8-1-2-12(4-8)5-9-3-10(14)11(15)7-16-9/h3,7-8,13,15H,1-2,4-6H2
InChIKeyDELGWANZBQZIRL-UHFFFAOYSA-N
XLogP0.16
TPSA73.91 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one?
The IUPAC name of 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one (CID 62372434) is 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one.
What is the SMILES notation for 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one?
The canonical SMILES for 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one is O=c1cc(CN2CCC(CO)C2)occ1O.
What is the InChIKey of 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one?
The InChIKey is DELGWANZBQZIRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-6-8-1-2-12(4-8)5-9-3-10(14)11(15)7-16-9/h3,7-8,13,15H,1-2,4-6H2.
What are the key properties of 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one?
5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one has a molecular weight of 225.24 g/mol, XLogP of 0.16, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-2-[[3-(hydroxymethyl)pyrrolidin-1-yl]methyl]pyran-4-one is sourced from PubChem (CID 62372434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).