6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one

C11H14ClNO4 — CID 121006023

IUPAC6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one
SMILESO=c1cc(CCl)oc(CN2CCOCC2)c1O
InChIInChI=1S/C11H14ClNO4/c12-6-8-5-9(14)11(15)10(17-8)7-13-1-3-16-4-2-13/h5,15H,1-4,6-7H2
InChIKeyPIBZSZFVFHLMET-UHFFFAOYSA-N
MW259.69 g/mol
LogP0.92
Rot. Bonds3

About 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one

6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one (PubChem CID 121006023) has the molecular formula C11H14ClNO4 and a molecular weight of 259.69 g/mol. Its IUPAC name is 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one
PubChem CID121006023
Molecular FormulaC11H14ClNO4
Molecular Weight259.69 g/mol
Exact Mass259.06
IUPAC Name6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one
SMILESO=c1cc(CCl)oc(CN2CCOCC2)c1O
InChIInChI=1S/C11H14ClNO4/c12-6-8-5-9(14)11(15)10(17-8)7-13-1-3-16-4-2-13/h5,15H,1-4,6-7H2
InChIKeyPIBZSZFVFHLMET-UHFFFAOYSA-N
XLogP0.92
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.69
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one?
The IUPAC name of 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one (CID 121006023) is 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one.
What is the SMILES notation for 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one?
The canonical SMILES for 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one is O=c1cc(CCl)oc(CN2CCOCC2)c1O.
What is the InChIKey of 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one?
The InChIKey is PIBZSZFVFHLMET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO4/c12-6-8-5-9(14)11(15)10(17-8)7-13-1-3-16-4-2-13/h5,15H,1-4,6-7H2.
What are the key properties of 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one?
6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one has a molecular weight of 259.69 g/mol, XLogP of 0.92, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(chloromethyl)-3-hydroxy-2-(morpholin-4-ylmethyl)pyran-4-one is sourced from PubChem (CID 121006023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).