3-ethyl-5,5-dimethylmorpholin-2-one

C8H15NO2 — CID 19860649

IUPAC3-ethyl-5,5-dimethylmorpholin-2-one
SMILESCCC1NC(C)(C)COC1=O
InChIInChI=1S/C8H15NO2/c1-4-6-7(10)11-5-8(2,3)9-6/h6,9H,4-5H2,1-3H3
InChIKeyQICCVZRLFPXQDV-UHFFFAOYSA-N
MW157.21 g/mol
LogP0.69
Rot. Bonds1

About 3-ethyl-5,5-dimethylmorpholin-2-one

3-ethyl-5,5-dimethylmorpholin-2-one (PubChem CID 19860649) has the molecular formula C8H15NO2 and a molecular weight of 157.21 g/mol. Its IUPAC name is 3-ethyl-5,5-dimethylmorpholin-2-one.

Molecular Properties

Compound Name3-ethyl-5,5-dimethylmorpholin-2-one
PubChem CID19860649
Molecular FormulaC8H15NO2
Molecular Weight157.21 g/mol
Exact Mass157.11
IUPAC Name3-ethyl-5,5-dimethylmorpholin-2-one
SMILESCCC1NC(C)(C)COC1=O
InChIInChI=1S/C8H15NO2/c1-4-6-7(10)11-5-8(2,3)9-6/h6,9H,4-5H2,1-3H3
InChIKeyQICCVZRLFPXQDV-UHFFFAOYSA-N
XLogP0.69
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5,5-dimethylmorpholin-2-one?
The IUPAC name of 3-ethyl-5,5-dimethylmorpholin-2-one (CID 19860649) is 3-ethyl-5,5-dimethylmorpholin-2-one.
What is the SMILES notation for 3-ethyl-5,5-dimethylmorpholin-2-one?
The canonical SMILES for 3-ethyl-5,5-dimethylmorpholin-2-one is CCC1NC(C)(C)COC1=O.
What is the InChIKey of 3-ethyl-5,5-dimethylmorpholin-2-one?
The InChIKey is QICCVZRLFPXQDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15NO2/c1-4-6-7(10)11-5-8(2,3)9-6/h6,9H,4-5H2,1-3H3.
What are the key properties of 3-ethyl-5,5-dimethylmorpholin-2-one?
3-ethyl-5,5-dimethylmorpholin-2-one has a molecular weight of 157.21 g/mol, XLogP of 0.69, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5,5-dimethylmorpholin-2-one is sourced from PubChem (CID 19860649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).