[2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate

C9H10N2O6 — CID 2430488

IUPAC[2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H10N2O6/c1-2-10-7(12)5-16-9(13)6-3-4-8(17-6)11(14)15/h3-4H,2,5H2,1H3,(H,10,12)
InChIKeyGLFGTAJUADLZBV-UHFFFAOYSA-N
MW242.19 g/mol
LogP0.48
Rot. Bonds5

About [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate

[2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate (PubChem CID 2430488) has the molecular formula C9H10N2O6 and a molecular weight of 242.19 g/mol. Its IUPAC name is [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate.

Molecular Properties

Compound Name[2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
PubChem CID2430488
Molecular FormulaC9H10N2O6
Molecular Weight242.19 g/mol
Exact Mass242.05
IUPAC Name[2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate
SMILESCCNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C9H10N2O6/c1-2-10-7(12)5-16-9(13)6-3-4-8(17-6)11(14)15/h3-4H,2,5H2,1H3,(H,10,12)
InChIKeyGLFGTAJUADLZBV-UHFFFAOYSA-N
XLogP0.48
TPSA111.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.19
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The IUPAC name of [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate (CID 2430488) is [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate.
What is the SMILES notation for [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The canonical SMILES for [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate is CCNC(=O)COC(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
The InChIKey is GLFGTAJUADLZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O6/c1-2-10-7(12)5-16-9(13)6-3-4-8(17-6)11(14)15/h3-4H,2,5H2,1H3,(H,10,12).
What are the key properties of [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate?
[2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate has a molecular weight of 242.19 g/mol, XLogP of 0.48, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(ethylamino)-2-oxoethyl] 5-nitrofuran-2-carboxylate is sourced from PubChem (CID 2430488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).