5-(diethylamino)furan-2-carbaldehyde

C9H13NO2 — CID 768638

IUPAC5-(diethylamino)furan-2-carbaldehyde
SMILESCCN(CC)c1ccc(C=O)o1
InChIInChI=1S/C9H13NO2/c1-3-10(4-2)9-6-5-8(7-11)12-9/h5-7H,3-4H2,1-2H3
InChIKeyCSLVNCXGGVYESC-UHFFFAOYSA-N
MW167.21 g/mol
LogP1.94
Rot. Bonds4

About 5-(diethylamino)furan-2-carbaldehyde

5-(diethylamino)furan-2-carbaldehyde (PubChem CID 768638) has the molecular formula C9H13NO2 and a molecular weight of 167.21 g/mol. Its IUPAC name is 5-(diethylamino)furan-2-carbaldehyde.

Molecular Properties

Compound Name5-(diethylamino)furan-2-carbaldehyde
PubChem CID768638
Molecular FormulaC9H13NO2
Molecular Weight167.21 g/mol
Exact Mass167.09
IUPAC Name5-(diethylamino)furan-2-carbaldehyde
SMILESCCN(CC)c1ccc(C=O)o1
InChIInChI=1S/C9H13NO2/c1-3-10(4-2)9-6-5-8(7-11)12-9/h5-7H,3-4H2,1-2H3
InChIKeyCSLVNCXGGVYESC-UHFFFAOYSA-N
XLogP1.94
TPSA33.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-(diethylamino)furan-2-carbaldehyde?
The IUPAC name of 5-(diethylamino)furan-2-carbaldehyde (CID 768638) is 5-(diethylamino)furan-2-carbaldehyde.
What is the SMILES notation for 5-(diethylamino)furan-2-carbaldehyde?
The canonical SMILES for 5-(diethylamino)furan-2-carbaldehyde is CCN(CC)c1ccc(C=O)o1.
What is the InChIKey of 5-(diethylamino)furan-2-carbaldehyde?
The InChIKey is CSLVNCXGGVYESC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NO2/c1-3-10(4-2)9-6-5-8(7-11)12-9/h5-7H,3-4H2,1-2H3.
What are the key properties of 5-(diethylamino)furan-2-carbaldehyde?
5-(diethylamino)furan-2-carbaldehyde has a molecular weight of 167.21 g/mol, XLogP of 1.94, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(diethylamino)furan-2-carbaldehyde is sourced from PubChem (CID 768638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).