2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one

C10H19NO3 — CID 57024628

IUPAC2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
SMILESCCCC(C)(O)C(=O)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-4-10(2,13)9(12)11-5-7-14-8-6-11/h13H,3-8H2,1-2H3
InChIKeyXLEPZBNBMCIJMC-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.40
Rot. Bonds3

About 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one

2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one (PubChem CID 57024628) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
PubChem CID57024628
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one
SMILESCCCC(C)(O)C(=O)N1CCOCC1
InChIInChI=1S/C10H19NO3/c1-3-4-10(2,13)9(12)11-5-7-14-8-6-11/h13H,3-8H2,1-2H3
InChIKeyXLEPZBNBMCIJMC-UHFFFAOYSA-N
XLogP0.40
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one (CID 57024628) is 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one is CCCC(C)(O)C(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one?
The InChIKey is XLEPZBNBMCIJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-3-4-10(2,13)9(12)11-5-7-14-8-6-11/h13H,3-8H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one?
2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one has a molecular weight of 201.27 g/mol, XLogP of 0.40, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-2-methyl-1-morpholin-4-ylpentan-1-one is sourced from PubChem (CID 57024628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).