3,3-diethyl-6-methylmorpholin-2-one

C9H17NO2 — CID 22689069

IUPAC3,3-diethyl-6-methylmorpholin-2-one
SMILESCCC1(CC)NCC(C)OC1=O
InChIInChI=1S/C9H17NO2/c1-4-9(5-2)8(11)12-7(3)6-10-9/h7,10H,4-6H2,1-3H3
InChIKeyNVTLDOMAFBEYFJ-UHFFFAOYSA-N
MW171.24 g/mol
LogP1.08
Rot. Bonds2

About 3,3-diethyl-6-methylmorpholin-2-one

3,3-diethyl-6-methylmorpholin-2-one (PubChem CID 22689069) has the molecular formula C9H17NO2 and a molecular weight of 171.24 g/mol. Its IUPAC name is 3,3-diethyl-6-methylmorpholin-2-one.

Molecular Properties

Compound Name3,3-diethyl-6-methylmorpholin-2-one
PubChem CID22689069
Molecular FormulaC9H17NO2
Molecular Weight171.24 g/mol
Exact Mass171.13
IUPAC Name3,3-diethyl-6-methylmorpholin-2-one
SMILESCCC1(CC)NCC(C)OC1=O
InChIInChI=1S/C9H17NO2/c1-4-9(5-2)8(11)12-7(3)6-10-9/h7,10H,4-6H2,1-3H3
InChIKeyNVTLDOMAFBEYFJ-UHFFFAOYSA-N
XLogP1.08
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.24
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,3-diethyl-6-methylmorpholin-2-one?
The IUPAC name of 3,3-diethyl-6-methylmorpholin-2-one (CID 22689069) is 3,3-diethyl-6-methylmorpholin-2-one.
What is the SMILES notation for 3,3-diethyl-6-methylmorpholin-2-one?
The canonical SMILES for 3,3-diethyl-6-methylmorpholin-2-one is CCC1(CC)NCC(C)OC1=O.
What is the InChIKey of 3,3-diethyl-6-methylmorpholin-2-one?
The InChIKey is NVTLDOMAFBEYFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17NO2/c1-4-9(5-2)8(11)12-7(3)6-10-9/h7,10H,4-6H2,1-3H3.
What are the key properties of 3,3-diethyl-6-methylmorpholin-2-one?
3,3-diethyl-6-methylmorpholin-2-one has a molecular weight of 171.24 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-diethyl-6-methylmorpholin-2-one is sourced from PubChem (CID 22689069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).