ethyl(dihydroxy)azanium

C2H8NO2+ — CID 20565203

IUPACethyl(dihydroxy)azanium
SMILESCC[NH+](O)O
InChIInChI=1S/C2H7NO2/c1-2-3(4)5/h4-5H,2H2,1H3/p+1
InChIKeyZUXWMZPBQLGDDY-UHFFFAOYSA-O
MW78.09 g/mol
LogP-1.33
Rot. Bonds1

About ethyl(dihydroxy)azanium

ethyl(dihydroxy)azanium (PubChem CID 20565203) has the molecular formula C2H8NO2+ and a molecular weight of 78.09 g/mol. Its IUPAC name is ethyl(dihydroxy)azanium.

Molecular Properties

Compound Nameethyl(dihydroxy)azanium
PubChem CID20565203
Molecular FormulaC2H8NO2+
Molecular Weight78.09 g/mol
Exact Mass78.05
IUPAC Nameethyl(dihydroxy)azanium
SMILESCC[NH+](O)O
InChIInChI=1S/C2H7NO2/c1-2-3(4)5/h4-5H,2H2,1H3/p+1
InChIKeyZUXWMZPBQLGDDY-UHFFFAOYSA-O
XLogP-1.33
TPSA44.90 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50078.09
LogP ≤ 5-1.33
H-Bond Donors ≤ 53
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 ethyl(dihydroxy)azanium?
The IUPAC name of ethyl(dihydroxy)azanium (CID 20565203) is ethyl(dihydroxy)azanium.
What is the SMILES notation for ethyl(dihydroxy)azanium?
The canonical SMILES for ethyl(dihydroxy)azanium is CC[NH+](O)O.
What is the InChIKey of ethyl(dihydroxy)azanium?
The InChIKey is ZUXWMZPBQLGDDY-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7NO2/c1-2-3(4)5/h4-5H,2H2,1H3/p+1.
What are the key properties of ethyl(dihydroxy)azanium?
ethyl(dihydroxy)azanium has a molecular weight of 78.09 g/mol, XLogP of -1.33, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(dihydroxy)azanium is sourced from PubChem (CID 20565203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).