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

C13H25NO3 — CID 141129965

IUPAC2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one
SMILESCCCCCCC(C)(O)C(=O)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-3-4-5-6-7-13(2,16)12(15)14-8-10-17-11-9-14/h16H,3-11H2,1-2H3
InChIKeyJFYUAXGXSLHCHY-UHFFFAOYSA-N
MW243.35 g/mol
LogP1.57
Rot. Bonds6

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

2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one (PubChem CID 141129965) has the molecular formula C13H25NO3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one.

Molecular Properties

Compound Name2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one
PubChem CID141129965
Molecular FormulaC13H25NO3
Molecular Weight243.35 g/mol
Exact Mass243.18
IUPAC Name2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one
SMILESCCCCCCC(C)(O)C(=O)N1CCOCC1
InChIInChI=1S/C13H25NO3/c1-3-4-5-6-7-13(2,16)12(15)14-8-10-17-11-9-14/h16H,3-11H2,1-2H3
InChIKeyJFYUAXGXSLHCHY-UHFFFAOYSA-N
XLogP1.57
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-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 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one?
The IUPAC name of 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one (CID 141129965) is 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one.
What is the SMILES notation for 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one?
The canonical SMILES for 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one is CCCCCCC(C)(O)C(=O)N1CCOCC1.
What is the InChIKey of 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one?
The InChIKey is JFYUAXGXSLHCHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25NO3/c1-3-4-5-6-7-13(2,16)12(15)14-8-10-17-11-9-14/h16H,3-11H2,1-2H3.
What are the key properties of 2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one?
2-hydroxy-2-methyl-1-morpholin-4-yloctan-1-one has a molecular weight of 243.35 g/mol, XLogP of 1.57, 6 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-yloctan-1-one is sourced from PubChem (CID 141129965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).