diethoxy(oxo)azanium

C4H10NO3+ — CID 3366095

IUPACdiethoxy(oxo)azanium
SMILESCCO[N+](=O)OCC
InChIInChI=1S/C4H10NO3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3/q+1
InChIKeyATMXTPZWCQDVIE-UHFFFAOYSA-N
MW120.13 g/mol
LogP0.67
Rot. Bonds4

About diethoxy(oxo)azanium

diethoxy(oxo)azanium (PubChem CID 3366095) has the molecular formula C4H10NO3+ and a molecular weight of 120.13 g/mol. Its IUPAC name is diethoxy(oxo)azanium.

Molecular Properties

Compound Namediethoxy(oxo)azanium
PubChem CID3366095
Molecular FormulaC4H10NO3+
Molecular Weight120.13 g/mol
Exact Mass120.07
IUPAC Namediethoxy(oxo)azanium
SMILESCCO[N+](=O)OCC
InChIInChI=1S/C4H10NO3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3/q+1
InChIKeyATMXTPZWCQDVIE-UHFFFAOYSA-N
XLogP0.67
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500120.13
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of diethoxy(oxo)azanium?
The IUPAC name of diethoxy(oxo)azanium (CID 3366095) is diethoxy(oxo)azanium.
What is the SMILES notation for diethoxy(oxo)azanium?
The canonical SMILES for diethoxy(oxo)azanium is CCO[N+](=O)OCC.
What is the InChIKey of diethoxy(oxo)azanium?
The InChIKey is ATMXTPZWCQDVIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H10NO3/c1-3-7-5(6)8-4-2/h3-4H2,1-2H3/q+1.
What are the key properties of diethoxy(oxo)azanium?
diethoxy(oxo)azanium has a molecular weight of 120.13 g/mol, XLogP of 0.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for diethoxy(oxo)azanium is sourced from PubChem (CID 3366095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).