bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)

C10H4N2O11V — CID 71731103

IUPACbis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
SMILESO=C([O-])c1ccc([N+](=O)[O-])o1.O=C([O-])c1ccc([N+](=O)[O-])o1.[O-2].[V+4]
InChIInChI=1S/2C5H3NO5.O.V/c2*7-5(8)3-1-2-4(11-3)6(9)10;;/h2*1-2H,(H,7,8);;/q;;-2;+4/p-2
InChIKeyFMKVCYXUHHAYRV-UHFFFAOYSA-L
MW379.09 g/mol
LogP-1.02
Rot. Bonds4

About bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)

bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+) (PubChem CID 71731103) has the molecular formula C10H4N2O11V and a molecular weight of 379.09 g/mol. Its IUPAC name is bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+).

Molecular Properties

Compound Namebis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
PubChem CID71731103
Molecular FormulaC10H4N2O11V
Molecular Weight379.09 g/mol
Exact Mass378.93
IUPAC Namebis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)
SMILESO=C([O-])c1ccc([N+](=O)[O-])o1.O=C([O-])c1ccc([N+](=O)[O-])o1.[O-2].[V+4]
InChIInChI=1S/2C5H3NO5.O.V/c2*7-5(8)3-1-2-4(11-3)6(9)10;;/h2*1-2H,(H,7,8);;/q;;-2;+4/p-2
InChIKeyFMKVCYXUHHAYRV-UHFFFAOYSA-L
XLogP-1.02
TPSA221.32 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.09
LogP ≤ 5-1.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

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

5-nitrofuran-2-carboxylic acid;hydrochloride
CID 67281310
2-bromo-1-(5-nitrofuran-2-yl)ethanone
CID 11241786
[3-(5-nitrofuran-2-carbonyl)oxy-2-oxopropyl] 5-nitrofuran-2-carboxylate
CID 2406638
2-(1-bromoethenyl)-5-nitrofuran
CID 151316917
2-[(5-nitrofuran-2-carbonyl)amino]acetic acid
CID 2079408
(2E)-N-hydroxy-5-nitrofuran-2-carboximidoyl chloride
CID 10888748
[methyl-(5-nitrofuran-2-carbonyl)amino] 5-nitrofuran-2-carboxylate
CID 53323017
N-(2-chloroethyl)-5-nitrofuran-2-carboxamide
CID 114294133
N'-methyl-5-nitrofuran-2-carbohydrazide
CID 3299962
N,N-bis(cyanomethyl)-5-nitrofuran-2-carboxamide
CID 3312705
N-[2-(methylamino)ethyl]-5-nitrofuran-2-carboxamide
CID 62658342
N-[(4-chlorophenyl)methyl]-5-nitrofuran-2-carboxamide
CID 17146050

Frequently Asked Questions

What is the IUPAC name of bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)?
The IUPAC name of bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+) (CID 71731103) is bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+).
What is the SMILES notation for bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)?
The canonical SMILES for bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+) is O=C([O-])c1ccc([N+](=O)[O-])o1.O=C([O-])c1ccc([N+](=O)[O-])o1.[O-2].[V+4].
What is the InChIKey of bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)?
The InChIKey is FMKVCYXUHHAYRV-UHFFFAOYSA-L. The full InChI is InChI=1S/2C5H3NO5.O.V/c2*7-5(8)3-1-2-4(11-3)6(9)10;;/h2*1-2H,(H,7,8);;/q;;-2;+4/p-2.
What are the key properties of bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+)?
bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+) has a molecular weight of 379.09 g/mol, XLogP of -1.02, 4 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(5-nitrofuran-2-carboxylate);oxygen(2-);vanadium(4+) is sourced from PubChem (CID 71731103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).