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

C11H15NO4 — CID 52905509

IUPAC3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCOCC2)o1
InChIInChI=1S/C11H15NO4/c1-8-6-9(13)11(14)10(16-8)7-12-2-4-15-5-3-12/h6,14H,2-5,7H2,1H3
InChIKeyLMBPEFNVILXTJT-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.49
Rot. Bonds2

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

3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one (PubChem CID 52905509) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one
PubChem CID52905509
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one
SMILESCc1cc(=O)c(O)c(CN2CCOCC2)o1
InChIInChI=1S/C11H15NO4/c1-8-6-9(13)11(14)10(16-8)7-12-2-4-15-5-3-12/h6,14H,2-5,7H2,1H3
InChIKeyLMBPEFNVILXTJT-UHFFFAOYSA-N
XLogP0.49
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one?
The IUPAC name of 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one (CID 52905509) is 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one is Cc1cc(=O)c(O)c(CN2CCOCC2)o1.
What is the InChIKey of 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one?
The InChIKey is LMBPEFNVILXTJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c1-8-6-9(13)11(14)10(16-8)7-12-2-4-15-5-3-12/h6,14H,2-5,7H2,1H3.
What are the key properties of 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one?
3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one has a molecular weight of 225.24 g/mol, XLogP of 0.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-6-methyl-2-(morpholin-4-ylmethyl)pyran-4-one is sourced from PubChem (CID 52905509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).