4-tert-butyl-5-ethylmorpholin-3-one

C10H19NO2 — CID 135212309

IUPAC4-tert-butyl-5-ethylmorpholin-3-one
SMILESCCC1COCC(=O)N1C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-8-6-13-7-9(12)11(8)10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyAVGSHIKHSCLRDG-UHFFFAOYSA-N
MW185.27 g/mol
LogP1.42
Rot. Bonds1

About 4-tert-butyl-5-ethylmorpholin-3-one

4-tert-butyl-5-ethylmorpholin-3-one (PubChem CID 135212309) has the molecular formula C10H19NO2 and a molecular weight of 185.27 g/mol. Its IUPAC name is 4-tert-butyl-5-ethylmorpholin-3-one.

Molecular Properties

Compound Name4-tert-butyl-5-ethylmorpholin-3-one
PubChem CID135212309
Molecular FormulaC10H19NO2
Molecular Weight185.27 g/mol
Exact Mass185.14
IUPAC Name4-tert-butyl-5-ethylmorpholin-3-one
SMILESCCC1COCC(=O)N1C(C)(C)C
InChIInChI=1S/C10H19NO2/c1-5-8-6-13-7-9(12)11(8)10(2,3)4/h8H,5-7H2,1-4H3
InChIKeyAVGSHIKHSCLRDG-UHFFFAOYSA-N
XLogP1.42
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 51.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-ethylmorpholin-3-one?
The IUPAC name of 4-tert-butyl-5-ethylmorpholin-3-one (CID 135212309) is 4-tert-butyl-5-ethylmorpholin-3-one.
What is the SMILES notation for 4-tert-butyl-5-ethylmorpholin-3-one?
The canonical SMILES for 4-tert-butyl-5-ethylmorpholin-3-one is CCC1COCC(=O)N1C(C)(C)C.
What is the InChIKey of 4-tert-butyl-5-ethylmorpholin-3-one?
The InChIKey is AVGSHIKHSCLRDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19NO2/c1-5-8-6-13-7-9(12)11(8)10(2,3)4/h8H,5-7H2,1-4H3.
What are the key properties of 4-tert-butyl-5-ethylmorpholin-3-one?
4-tert-butyl-5-ethylmorpholin-3-one has a molecular weight of 185.27 g/mol, XLogP of 1.42, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-ethylmorpholin-3-one is sourced from PubChem (CID 135212309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).