5-morpholin-4-ylfuran-2-carbaldehyde

C9H11NO3 — CID 602308

IUPAC5-morpholin-4-ylfuran-2-carbaldehyde
SMILESO=Cc1ccc(N2CCOCC2)o1
InChIInChI=1S/C9H11NO3/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
InChIKeyXPUSBRXFPCGEKP-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.93
Rot. Bonds2

About 5-morpholin-4-ylfuran-2-carbaldehyde

5-morpholin-4-ylfuran-2-carbaldehyde (PubChem CID 602308) has the molecular formula C9H11NO3 and a molecular weight of 181.19 g/mol. Its IUPAC name is 5-morpholin-4-ylfuran-2-carbaldehyde.

Molecular Properties

Compound Name5-morpholin-4-ylfuran-2-carbaldehyde
PubChem CID602308
Molecular FormulaC9H11NO3
Molecular Weight181.19 g/mol
Exact Mass181.07
IUPAC Name5-morpholin-4-ylfuran-2-carbaldehyde
SMILESO=Cc1ccc(N2CCOCC2)o1
InChIInChI=1S/C9H11NO3/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2
InChIKeyXPUSBRXFPCGEKP-UHFFFAOYSA-N
XLogP0.93
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.93
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-morpholin-4-ylfuran-2-carbaldehyde?
The IUPAC name of 5-morpholin-4-ylfuran-2-carbaldehyde (CID 602308) is 5-morpholin-4-ylfuran-2-carbaldehyde.
What is the SMILES notation for 5-morpholin-4-ylfuran-2-carbaldehyde?
The canonical SMILES for 5-morpholin-4-ylfuran-2-carbaldehyde is O=Cc1ccc(N2CCOCC2)o1.
What is the InChIKey of 5-morpholin-4-ylfuran-2-carbaldehyde?
The InChIKey is XPUSBRXFPCGEKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11NO3/c11-7-8-1-2-9(13-8)10-3-5-12-6-4-10/h1-2,7H,3-6H2.
What are the key properties of 5-morpholin-4-ylfuran-2-carbaldehyde?
5-morpholin-4-ylfuran-2-carbaldehyde has a molecular weight of 181.19 g/mol, XLogP of 0.93, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-morpholin-4-ylfuran-2-carbaldehyde is sourced from PubChem (CID 602308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).