3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine

C12H19NO2 — CID 54594401

IUPAC3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine
SMILESCCc1ccc(C2NCC(C)OC2C)o1
InChIInChI=1S/C12H19NO2/c1-4-10-5-6-11(15-10)12-9(3)14-8(2)7-13-12/h5-6,8-9,12-13H,4,7H2,1-3H3
InChIKeyZKMFNBKTKXOQST-UHFFFAOYSA-N
MW209.29 g/mol
LogP2.28
Rot. Bonds2

About 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine

3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine (PubChem CID 54594401) has the molecular formula C12H19NO2 and a molecular weight of 209.29 g/mol. Its IUPAC name is 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine.

Molecular Properties

Compound Name3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine
PubChem CID54594401
Molecular FormulaC12H19NO2
Molecular Weight209.29 g/mol
Exact Mass209.14
IUPAC Name3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine
SMILESCCc1ccc(C2NCC(C)OC2C)o1
InChIInChI=1S/C12H19NO2/c1-4-10-5-6-11(15-10)12-9(3)14-8(2)7-13-12/h5-6,8-9,12-13H,4,7H2,1-3H3
InChIKeyZKMFNBKTKXOQST-UHFFFAOYSA-N
XLogP2.28
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine?
The IUPAC name of 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine (CID 54594401) is 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine.
What is the SMILES notation for 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine?
The canonical SMILES for 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine is CCc1ccc(C2NCC(C)OC2C)o1.
What is the InChIKey of 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine?
The InChIKey is ZKMFNBKTKXOQST-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19NO2/c1-4-10-5-6-11(15-10)12-9(3)14-8(2)7-13-12/h5-6,8-9,12-13H,4,7H2,1-3H3.
What are the key properties of 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine?
3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine has a molecular weight of 209.29 g/mol, XLogP of 2.28, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethylfuran-2-yl)-2,6-dimethylmorpholine is sourced from PubChem (CID 54594401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).