4-ethyl-4-morpholin-4-yloxetan-2-one

C9H15NO3 — CID 87390772

IUPAC4-ethyl-4-morpholin-4-yloxetan-2-one
SMILESCCC1(N2CCOCC2)CC(=O)O1
InChIInChI=1S/C9H15NO3/c1-2-9(7-8(11)13-9)10-3-5-12-6-4-10/h2-7H2,1H3
InChIKeyVIZPLYFTOQZHEV-UHFFFAOYSA-N
MW185.22 g/mol
LogP0.37
Rot. Bonds2

About 4-ethyl-4-morpholin-4-yloxetan-2-one

4-ethyl-4-morpholin-4-yloxetan-2-one (PubChem CID 87390772) has the molecular formula C9H15NO3 and a molecular weight of 185.22 g/mol. Its IUPAC name is 4-ethyl-4-morpholin-4-yloxetan-2-one.

Molecular Properties

Compound Name4-ethyl-4-morpholin-4-yloxetan-2-one
PubChem CID87390772
Molecular FormulaC9H15NO3
Molecular Weight185.22 g/mol
Exact Mass185.11
IUPAC Name4-ethyl-4-morpholin-4-yloxetan-2-one
SMILESCCC1(N2CCOCC2)CC(=O)O1
InChIInChI=1S/C9H15NO3/c1-2-9(7-8(11)13-9)10-3-5-12-6-4-10/h2-7H2,1H3
InChIKeyVIZPLYFTOQZHEV-UHFFFAOYSA-N
XLogP0.37
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.22
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'four_member_lactones', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-morpholin-4-yloxetan-2-one?
The IUPAC name of 4-ethyl-4-morpholin-4-yloxetan-2-one (CID 87390772) is 4-ethyl-4-morpholin-4-yloxetan-2-one.
What is the SMILES notation for 4-ethyl-4-morpholin-4-yloxetan-2-one?
The canonical SMILES for 4-ethyl-4-morpholin-4-yloxetan-2-one is CCC1(N2CCOCC2)CC(=O)O1.
What is the InChIKey of 4-ethyl-4-morpholin-4-yloxetan-2-one?
The InChIKey is VIZPLYFTOQZHEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO3/c1-2-9(7-8(11)13-9)10-3-5-12-6-4-10/h2-7H2,1H3.
What are the key properties of 4-ethyl-4-morpholin-4-yloxetan-2-one?
4-ethyl-4-morpholin-4-yloxetan-2-one has a molecular weight of 185.22 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-morpholin-4-yloxetan-2-one is sourced from PubChem (CID 87390772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).