hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium

C4H10N2O7+2 — CID 88560005

IUPAChydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium
SMILESO=[N+](O)OCCOCCO[N+](=O)O
InChIInChI=1S/C4H10N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,(H,7,8)(H,9,10)/q+2
InChIKeyNNXHPPOPKWQLOL-UHFFFAOYSA-N
MW198.13 g/mol
LogP-0.80
Rot. Bonds8

About hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium

hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium (PubChem CID 88560005) has the molecular formula C4H10N2O7+2 and a molecular weight of 198.13 g/mol. Its IUPAC name is hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium.

Molecular Properties

Compound Namehydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium
PubChem CID88560005
Molecular FormulaC4H10N2O7+2
Molecular Weight198.13 g/mol
Exact Mass198.05
IUPAC Namehydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium
SMILESO=[N+](O)OCCOCCO[N+](=O)O
InChIInChI=1S/C4H10N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,(H,7,8)(H,9,10)/q+2
InChIKeyNNXHPPOPKWQLOL-UHFFFAOYSA-N
XLogP-0.80
TPSA108.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.13
LogP ≤ 5-0.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium?
The IUPAC name of hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium (CID 88560005) is hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium.
What is the SMILES notation for hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium?
The canonical SMILES for hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium is O=[N+](O)OCCOCCO[N+](=O)O.
What is the InChIKey of hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium?
The InChIKey is NNXHPPOPKWQLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10N2O7/c7-5(8)12-3-1-11-2-4-13-6(9)10/h1-4H2,(H,7,8)(H,9,10)/q+2.
What are the key properties of hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium?
hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium has a molecular weight of 198.13 g/mol, XLogP of -0.80, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy-[2-[2-[hydroxy(oxo)azaniumyl]oxyethoxy]ethoxy]-oxoazanium is sourced from PubChem (CID 88560005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).