3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one

C10H13NO3 — CID 83818543

IUPAC3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one
SMILESO=c1ccoc(CN2CCCC2)c1O
InChIInChI=1S/C10H13NO3/c12-8-3-6-14-9(10(8)13)7-11-4-1-2-5-11/h3,6,13H,1-2,4-5,7H2
InChIKeyHEQQZEGLHGGUAT-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.94
Rot. Bonds2

About 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one

3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one (PubChem CID 83818543) has the molecular formula C10H13NO3 and a molecular weight of 195.22 g/mol. Its IUPAC name is 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one
PubChem CID83818543
Molecular FormulaC10H13NO3
Molecular Weight195.22 g/mol
Exact Mass195.09
IUPAC Name3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one
SMILESO=c1ccoc(CN2CCCC2)c1O
InChIInChI=1S/C10H13NO3/c12-8-3-6-14-9(10(8)13)7-11-4-1-2-5-11/h3,6,13H,1-2,4-5,7H2
InChIKeyHEQQZEGLHGGUAT-UHFFFAOYSA-N
XLogP0.94
TPSA53.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one?
The IUPAC name of 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one (CID 83818543) is 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one is O=c1ccoc(CN2CCCC2)c1O.
What is the InChIKey of 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one?
The InChIKey is HEQQZEGLHGGUAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO3/c12-8-3-6-14-9(10(8)13)7-11-4-1-2-5-11/h3,6,13H,1-2,4-5,7H2.
What are the key properties of 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one?
3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one has a molecular weight of 195.22 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(pyrrolidin-1-ylmethyl)pyran-4-one is sourced from PubChem (CID 83818543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).