[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate

C11H7N3O9 — CID 53323017

IUPAC[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
SMILESCN(OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H7N3O9/c1-12(10(15)6-2-4-8(21-6)13(17)18)23-11(16)7-3-5-9(22-7)14(19)20/h2-5H,1H3
InChIKeyUQJRRRCKEIXGEO-UHFFFAOYSA-N
MW325.19 g/mol
LogP1.53
Rot. Bonds4

About [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate

[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate (PubChem CID 53323017) has the molecular formula C11H7N3O9 and a molecular weight of 325.19 g/mol. Its IUPAC name is [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate.

Molecular Properties

Compound Name[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
PubChem CID53323017
Molecular FormulaC11H7N3O9
Molecular Weight325.19 g/mol
Exact Mass325.02
IUPAC Name[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
SMILESCN(OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C11H7N3O9/c1-12(10(15)6-2-4-8(21-6)13(17)18)23-11(16)7-3-5-9(22-7)14(19)20/h2-5H,1H3
InChIKeyUQJRRRCKEIXGEO-UHFFFAOYSA-N
XLogP1.53
TPSA159.17 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.19
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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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Related Compounds

N-(4-hydroxyphenyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 28739301
N-(2-chloro-3-methoxypropyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 63397993
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
CID 71731103
butan-2-yl 5-nitrofuran-2-carboxylate
CID 5176362
(4-ethylphenyl) 5-nitrofuran-2-carboxylate
CID 47097105
N-(2-chlorocyclohexyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 102638202
[2-(dimethylamino)-2-oxo-1-phenylethyl] 5-nitrofuran-2-carboxylate
CID 18198734
N-(4-cyanophenyl)-N-methyl-5-nitrofuran-2-carboxamide
CID 62983455
5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
octyl 5-nitrofuran-2-carboxylate
CID 5106395
N-(2-hydroxyethyl)-N-(2-methoxyethyl)-5-nitrofuran-2-carboxamide
CID 115902264

Frequently Asked Questions

What is the IUPAC name of [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate?
The IUPAC name of [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate (CID 53323017) is [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate.
What is the SMILES notation for [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate?
The canonical SMILES for [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate is CN(OC(=O)c1ccc([N+](=O)[O-])o1)C(=O)c1ccc([N+](=O)[O-])o1.
What is the InChIKey of [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate?
The InChIKey is UQJRRRCKEIXGEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7N3O9/c1-12(10(15)6-2-4-8(21-6)13(17)18)23-11(16)7-3-5-9(22-7)14(19)20/h2-5H,1H3.
What are the key properties of [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate?
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate has a molecular weight of 325.19 g/mol, XLogP of 1.53, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for [methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate is sourced from PubChem (CID 53323017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).