4-ethylmorpholin-3-one

C6H11NO2 — CID 12766108

IUPAC4-ethylmorpholin-3-one
SMILESCCN1CCOCC1=O
InChIInChI=1S/C6H11NO2/c1-2-7-3-4-9-5-6(7)8/h2-5H2,1H3
InChIKeyROBONFBGINEJFO-UHFFFAOYSA-N
MW129.16 g/mol
LogP-0.13
Rot. Bonds1

About 4-ethylmorpholin-3-one

4-ethylmorpholin-3-one (PubChem CID 12766108) has the molecular formula C6H11NO2 and a molecular weight of 129.16 g/mol. Its IUPAC name is 4-ethylmorpholin-3-one.

Molecular Properties

Compound Name4-ethylmorpholin-3-one
PubChem CID12766108
Molecular FormulaC6H11NO2
Molecular Weight129.16 g/mol
Exact Mass129.08
IUPAC Name4-ethylmorpholin-3-one
SMILESCCN1CCOCC1=O
InChIInChI=1S/C6H11NO2/c1-2-7-3-4-9-5-6(7)8/h2-5H2,1H3
InChIKeyROBONFBGINEJFO-UHFFFAOYSA-N
XLogP-0.13
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500129.16
LogP ≤ 5-0.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-ethylmorpholin-3-one?
The IUPAC name of 4-ethylmorpholin-3-one (CID 12766108) is 4-ethylmorpholin-3-one.
What is the SMILES notation for 4-ethylmorpholin-3-one?
The canonical SMILES for 4-ethylmorpholin-3-one is CCN1CCOCC1=O.
What is the InChIKey of 4-ethylmorpholin-3-one?
The InChIKey is ROBONFBGINEJFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO2/c1-2-7-3-4-9-5-6(7)8/h2-5H2,1H3.
What are the key properties of 4-ethylmorpholin-3-one?
4-ethylmorpholin-3-one has a molecular weight of 129.16 g/mol, XLogP of -0.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethylmorpholin-3-one is sourced from PubChem (CID 12766108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).