5-methylfuran-2,3-dicarbaldehyde

C7H6O3 — CID 21297715

IUPAC5-methylfuran-2,3-dicarbaldehyde
SMILESCc1cc(C=O)c(C=O)o1
InChIInChI=1S/C7H6O3/c1-5-2-6(3-8)7(4-9)10-5/h2-4H,1H3
InChIKeyCUYVGZYLCHVWBG-UHFFFAOYSA-N
MW138.12 g/mol
LogP1.21
Rot. Bonds2

About 5-methylfuran-2,3-dicarbaldehyde

5-methylfuran-2,3-dicarbaldehyde (PubChem CID 21297715) has the molecular formula C7H6O3 and a molecular weight of 138.12 g/mol. Its IUPAC name is 5-methylfuran-2,3-dicarbaldehyde.

Molecular Properties

Compound Name5-methylfuran-2,3-dicarbaldehyde
PubChem CID21297715
Molecular FormulaC7H6O3
Molecular Weight138.12 g/mol
Exact Mass138.03
IUPAC Name5-methylfuran-2,3-dicarbaldehyde
SMILESCc1cc(C=O)c(C=O)o1
InChIInChI=1S/C7H6O3/c1-5-2-6(3-8)7(4-9)10-5/h2-4H,1H3
InChIKeyCUYVGZYLCHVWBG-UHFFFAOYSA-N
XLogP1.21
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 5-methylfuran-2,3-dicarbaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-methylfuran-2,3-dicarbaldehyde?
The IUPAC name of 5-methylfuran-2,3-dicarbaldehyde (CID 21297715) is 5-methylfuran-2,3-dicarbaldehyde.
What is the SMILES notation for 5-methylfuran-2,3-dicarbaldehyde?
The canonical SMILES for 5-methylfuran-2,3-dicarbaldehyde is Cc1cc(C=O)c(C=O)o1.
What is the InChIKey of 5-methylfuran-2,3-dicarbaldehyde?
The InChIKey is CUYVGZYLCHVWBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6O3/c1-5-2-6(3-8)7(4-9)10-5/h2-4H,1H3.
What are the key properties of 5-methylfuran-2,3-dicarbaldehyde?
5-methylfuran-2,3-dicarbaldehyde has a molecular weight of 138.12 g/mol, XLogP of 1.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylfuran-2,3-dicarbaldehyde is sourced from PubChem (CID 21297715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).