Furaspor

C₆H₇NO₄ — CID 11469

About Furaspor

Furaspor (PubChem CID 11469) has the molecular formula C₆H₇NO₄ and a molecular weight of 157.12 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-nitrofuran.

Molecular Properties

• Compound Name: Furaspor
• PubChem CID: 11469
• Molecular Formula: C₆H₇NO₄
• Molecular Weight: 157.12 g/mol
• Exact Mass: 157.04
• IUPAC Name: 2-(methoxymethyl)-5-nitrofuran
• SMILES: COCc1ccc([N+](=O)[O-])o1
• InChI: InChI=1S/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3
• InChIKey: JXUMCVDPMJWGSI-UHFFFAOYSA-N
• XLogP: 1.33
• TPSA: 65.51 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 11
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	157.12
LogP ≤ 5	1.33
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of Furaspor?

The IUPAC name of Furaspor (CID 11469) is 2-(methoxymethyl)-5-nitrofuran.

What is the SMILES notation for Furaspor?

The canonical SMILES for Furaspor is COCc1ccc([N+](=O)[O-])o1.

What is the InChIKey of Furaspor?

The InChIKey is JXUMCVDPMJWGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO4/c1-10-4-5-2-3-6(11-5)7(8)9/h2-3H,4H2,1H3.

What are the key properties of Furaspor?

Furaspor has a molecular weight of 157.12 g/mol, XLogP of 1.33, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for Furaspor is sourced from PubChem (CID 11469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 11469 — identifiers, structure, computed properties (public domain)
• DrugCentral drug card 3775 — approved-drug record (CC BY-SA 4.0)

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