6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one

C11H21NO3 — CID 115067706

IUPAC6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
SMILESCC(C)CN1CC(C)(CCO)OCC1=O
InChIInChI=1S/C11H21NO3/c1-9(2)6-12-8-11(3,4-5-13)15-7-10(12)14/h9,13H,4-8H2,1-3H3
InChIKeyDWGIFMGZNWSJDF-UHFFFAOYSA-N
MW215.29 g/mol
LogP0.64
Rot. Bonds4

About 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one

6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one (PubChem CID 115067706) has the molecular formula C11H21NO3 and a molecular weight of 215.29 g/mol. Its IUPAC name is 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one.

Molecular Properties

Compound Name6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
PubChem CID115067706
Molecular FormulaC11H21NO3
Molecular Weight215.29 g/mol
Exact Mass215.15
IUPAC Name6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
SMILESCC(C)CN1CC(C)(CCO)OCC1=O
InChIInChI=1S/C11H21NO3/c1-9(2)6-12-8-11(3,4-5-13)15-7-10(12)14/h9,13H,4-8H2,1-3H3
InChIKeyDWGIFMGZNWSJDF-UHFFFAOYSA-N
XLogP0.64
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.29
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one?
The IUPAC name of 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one (CID 115067706) is 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one.
What is the SMILES notation for 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one?
The canonical SMILES for 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one is CC(C)CN1CC(C)(CCO)OCC1=O.
What is the InChIKey of 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one?
The InChIKey is DWGIFMGZNWSJDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO3/c1-9(2)6-12-8-11(3,4-5-13)15-7-10(12)14/h9,13H,4-8H2,1-3H3.
What are the key properties of 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one?
6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one has a molecular weight of 215.29 g/mol, XLogP of 0.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-hydroxyethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one is sourced from PubChem (CID 115067706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).