3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one

C11H15NO4 — CID 88803102

IUPAC3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one
SMILESO=c1ccoc(CCN2CCOCC2)c1O
InChIInChI=1S/C11H15NO4/c13-9-2-6-16-10(11(9)14)1-3-12-4-7-15-8-5-12/h2,6,14H,1,3-5,7-8H2
InChIKeyNVTXCIHVVBVNEJ-UHFFFAOYSA-N
MW225.24 g/mol
LogP0.22
Rot. Bonds3

About 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one

3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one (PubChem CID 88803102) has the molecular formula C11H15NO4 and a molecular weight of 225.24 g/mol. Its IUPAC name is 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one.

Molecular Properties

Compound Name3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one
PubChem CID88803102
Molecular FormulaC11H15NO4
Molecular Weight225.24 g/mol
Exact Mass225.10
IUPAC Name3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one
SMILESO=c1ccoc(CCN2CCOCC2)c1O
InChIInChI=1S/C11H15NO4/c13-9-2-6-16-10(11(9)14)1-3-12-4-7-15-8-5-12/h2,6,14H,1,3-5,7-8H2
InChIKeyNVTXCIHVVBVNEJ-UHFFFAOYSA-N
XLogP0.22
TPSA62.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.24
LogP ≤ 50.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one?
The IUPAC name of 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one (CID 88803102) is 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one.
What is the SMILES notation for 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one?
The canonical SMILES for 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one is O=c1ccoc(CCN2CCOCC2)c1O.
What is the InChIKey of 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one?
The InChIKey is NVTXCIHVVBVNEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO4/c13-9-2-6-16-10(11(9)14)1-3-12-4-7-15-8-5-12/h2,6,14H,1,3-5,7-8H2.
What are the key properties of 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one?
3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one has a molecular weight of 225.24 g/mol, XLogP of 0.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(2-morpholin-4-ylethyl)pyran-4-one is sourced from PubChem (CID 88803102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).