5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde

C11H15NO3 — CID 62128251

IUPAC5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde
SMILESCC1CN(c2ccc(C=O)o2)CC(C)O1
InChIInChI=1S/C11H15NO3/c1-8-5-12(6-9(2)14-8)11-4-3-10(7-13)15-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeyQJBPOFOHLBKHLA-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.71
Rot. Bonds2

About 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde

5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde (PubChem CID 62128251) has the molecular formula C11H15NO3 and a molecular weight of 209.25 g/mol. Its IUPAC name is 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde
PubChem CID62128251
Molecular FormulaC11H15NO3
Molecular Weight209.25 g/mol
Exact Mass209.11
IUPAC Name5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde
SMILESCC1CN(c2ccc(C=O)o2)CC(C)O1
InChIInChI=1S/C11H15NO3/c1-8-5-12(6-9(2)14-8)11-4-3-10(7-13)15-11/h3-4,7-9H,5-6H2,1-2H3
InChIKeyQJBPOFOHLBKHLA-UHFFFAOYSA-N
XLogP1.71
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde?
The IUPAC name of 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde (CID 62128251) is 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde.
What is the SMILES notation for 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde?
The canonical SMILES for 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde is CC1CN(c2ccc(C=O)o2)CC(C)O1.
What is the InChIKey of 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde?
The InChIKey is QJBPOFOHLBKHLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO3/c1-8-5-12(6-9(2)14-8)11-4-3-10(7-13)15-11/h3-4,7-9H,5-6H2,1-2H3.
What are the key properties of 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde?
5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde has a molecular weight of 209.25 g/mol, XLogP of 1.71, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-dimethylmorpholin-4-yl)furan-2-carbaldehyde is sourced from PubChem (CID 62128251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).