6-ethylmorpholin-3-one

C6H11NO2 — CID 77393291

IUPAC6-ethylmorpholin-3-one
SMILESCCC1CNC(=O)CO1
InChIInChI=1S/C6H11NO2/c1-2-5-3-7-6(8)4-9-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyPBWNIYNJNBUEOT-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.09
Rot. Bonds1

About 6-ethylmorpholin-3-one

6-ethylmorpholin-3-one (PubChem CID 77393291) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 6-ethylmorpholin-3-one.

Molecular Properties

Compound Name6-ethylmorpholin-3-one
PubChem CID77393291
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name6-ethylmorpholin-3-one
SMILESCCC1CNC(=O)CO1
InChIInChI=1S/C6H11NO2/c1-2-5-3-7-6(8)4-9-5/h5H,2-4H2,1H3,(H,7,8)
InChIKeyPBWNIYNJNBUEOT-UHFFFAOYSA-N
XLogP-0.09
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-ethylmorpholin-3-one?
The IUPAC name of 6-ethylmorpholin-3-one (CID 77393291) is 6-ethylmorpholin-3-one.
What is the SMILES notation for 6-ethylmorpholin-3-one?
The canonical SMILES for 6-ethylmorpholin-3-one is CCC1CNC(=O)CO1.
What is the InChIKey of 6-ethylmorpholin-3-one?
The InChIKey is PBWNIYNJNBUEOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-5-3-7-6(8)4-9-5/h5H,2-4H2,1H3,(H,7,8).
What are the key properties of 6-ethylmorpholin-3-one?
6-ethylmorpholin-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethylmorpholin-3-one is sourced from PubChem (CID 77393291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).