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

C10H19NO3 — CID 115067596

IUPAC6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
SMILESCC(C)CN1CC(C)(CO)OCC1=O
InChIInChI=1S/C10H19NO3/c1-8(2)4-11-6-10(3,7-12)14-5-9(11)13/h8,12H,4-7H2,1-3H3
InChIKeyGVOFGAFOSOSSTF-UHFFFAOYSA-N
MW201.27 g/mol
LogP0.25
Rot. Bonds3

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

6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one (PubChem CID 115067596) has the molecular formula C10H19NO3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one.

Molecular Properties

Compound Name6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
PubChem CID115067596
Molecular FormulaC10H19NO3
Molecular Weight201.27 g/mol
Exact Mass201.14
IUPAC Name6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one
SMILESCC(C)CN1CC(C)(CO)OCC1=O
InChIInChI=1S/C10H19NO3/c1-8(2)4-11-6-10(3,7-12)14-5-9(11)13/h8,12H,4-7H2,1-3H3
InChIKeyGVOFGAFOSOSSTF-UHFFFAOYSA-N
XLogP0.25
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 ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one?
The IUPAC name of 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one (CID 115067596) is 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one.
What is the SMILES notation for 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one?
The canonical SMILES for 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one is CC(C)CN1CC(C)(CO)OCC1=O.
What is the InChIKey of 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one?
The InChIKey is GVOFGAFOSOSSTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO3/c1-8(2)4-11-6-10(3,7-12)14-5-9(11)13/h8,12H,4-7H2,1-3H3.
What are the key properties of 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one?
6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one has a molecular weight of 201.27 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(hydroxymethyl)-6-methyl-4-(2-methylpropyl)morpholin-3-one is sourced from PubChem (CID 115067596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).