ethoxy-hydroxy-oxoazanium

C2H6NO3+ — CID 57218895

IUPACethoxy-hydroxy-oxoazanium
SMILESCCO[N+](=O)O
InChIInChI=1S/C2H6NO3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)/q+1
InChIKeyIIEZZHAKHPDYBD-UHFFFAOYSA-N
MW92.07 g/mol
LogP0.11
Rot. Bonds2

About ethoxy-hydroxy-oxoazanium

ethoxy-hydroxy-oxoazanium (PubChem CID 57218895) has the molecular formula C2H6NO3+ and a molecular weight of 92.07 g/mol. Its IUPAC name is ethoxy-hydroxy-oxoazanium.

Molecular Properties

Compound Nameethoxy-hydroxy-oxoazanium
PubChem CID57218895
Molecular FormulaC2H6NO3+
Molecular Weight92.07 g/mol
Exact Mass92.03
IUPAC Nameethoxy-hydroxy-oxoazanium
SMILESCCO[N+](=O)O
InChIInChI=1S/C2H6NO3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)/q+1
InChIKeyIIEZZHAKHPDYBD-UHFFFAOYSA-N
XLogP0.11
TPSA49.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50092.07
LogP ≤ 50.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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 ethoxy-hydroxy-oxoazanium?
The IUPAC name of ethoxy-hydroxy-oxoazanium (CID 57218895) is ethoxy-hydroxy-oxoazanium.
What is the SMILES notation for ethoxy-hydroxy-oxoazanium?
The canonical SMILES for ethoxy-hydroxy-oxoazanium is CCO[N+](=O)O.
What is the InChIKey of ethoxy-hydroxy-oxoazanium?
The InChIKey is IIEZZHAKHPDYBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H6NO3/c1-2-6-3(4)5/h2H2,1H3,(H,4,5)/q+1.
What are the key properties of ethoxy-hydroxy-oxoazanium?
ethoxy-hydroxy-oxoazanium has a molecular weight of 92.07 g/mol, XLogP of 0.11, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-hydroxy-oxoazanium is sourced from PubChem (CID 57218895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).