bis[furan-2-yl(nitro)methoxy]-oxoazanium

C10H8N3O9+ — CID 87204286

IUPACbis[furan-2-yl(nitro)methoxy]-oxoazanium
SMILESO=[N+](OC(c1ccco1)[N+](=O)[O-])OC(c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C10H8N3O9/c14-11(15)9(7-3-1-5-19-7)21-13(18)22-10(12(16)17)8-4-2-6-20-8/h1-6,9-10H/q+1
InChIKeyGBNCJHBYFMDQPI-UHFFFAOYSA-N
MW314.19 g/mol
LogP1.77
Rot. Bonds8

About bis[furan-2-yl(nitro)methoxy]-oxoazanium

bis[furan-2-yl(nitro)methoxy]-oxoazanium (PubChem CID 87204286) has the molecular formula C10H8N3O9+ and a molecular weight of 314.19 g/mol. Its IUPAC name is bis[furan-2-yl(nitro)methoxy]-oxoazanium.

Molecular Properties

Compound Namebis[furan-2-yl(nitro)methoxy]-oxoazanium
PubChem CID87204286
Molecular FormulaC10H8N3O9+
Molecular Weight314.19 g/mol
Exact Mass314.03
IUPAC Namebis[furan-2-yl(nitro)methoxy]-oxoazanium
SMILESO=[N+](OC(c1ccco1)[N+](=O)[O-])OC(c1ccco1)[N+](=O)[O-]
InChIInChI=1S/C10H8N3O9/c14-11(15)9(7-3-1-5-19-7)21-13(18)22-10(12(16)17)8-4-2-6-20-8/h1-6,9-10H/q+1
InChIKeyGBNCJHBYFMDQPI-UHFFFAOYSA-N
XLogP1.77
TPSA151.10 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.19
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Related Compounds

2-[(2R)-1-nitropropan-2-yl]furan
CID 11159438
(1S,2R)-1-(furan-2-yl)-2-nitropropan-1-ol
CID 44604534
2-(1,3-dinitrobutan-2-yl)furan
CID 73035350
2-[(1R)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445871
2-[(1S)-1-(furan-2-yl)-2-nitroethyl]-5-methoxyfuran
CID 101445872
ethyl 2-(furan-2-yl)-3-nitropropanoate
CID 101230332
1-(furan-2-yl)-2-methyl-2-nitropropan-1-ol
CID 12946482
N-[(1R)-1-(furan-2-yl)-2-nitroethyl]acetamide
CID 134967815
2-(2-nitropropyl)furan
CID 14929135
N-[1-(furan-2-yl)propyl]-4-nitroaniline
CID 62633798
1-(furan-2-yl)-2-[(3-nitrophenyl)methylamino]ethanol
CID 60760616
(1R)-N-[(3-fluoro-4-nitrophenyl)methyl]-1-(furan-2-yl)ethanamine
CID 81399549

Frequently Asked Questions

What is the IUPAC name of bis[furan-2-yl(nitro)methoxy]-oxoazanium?
The IUPAC name of bis[furan-2-yl(nitro)methoxy]-oxoazanium (CID 87204286) is bis[furan-2-yl(nitro)methoxy]-oxoazanium.
What is the SMILES notation for bis[furan-2-yl(nitro)methoxy]-oxoazanium?
The canonical SMILES for bis[furan-2-yl(nitro)methoxy]-oxoazanium is O=[N+](OC(c1ccco1)[N+](=O)[O-])OC(c1ccco1)[N+](=O)[O-].
What is the InChIKey of bis[furan-2-yl(nitro)methoxy]-oxoazanium?
The InChIKey is GBNCJHBYFMDQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N3O9/c14-11(15)9(7-3-1-5-19-7)21-13(18)22-10(12(16)17)8-4-2-6-20-8/h1-6,9-10H/q+1.
What are the key properties of bis[furan-2-yl(nitro)methoxy]-oxoazanium?
bis[furan-2-yl(nitro)methoxy]-oxoazanium has a molecular weight of 314.19 g/mol, XLogP of 1.77, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for bis[furan-2-yl(nitro)methoxy]-oxoazanium is sourced from PubChem (CID 87204286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).