ethyl(oxido)azanium

C2H7NO — CID 19390107

IUPACethyl(oxido)azanium
SMILESCC[NH2+][O-]
InChIInChI=1S/C2H7NO/c1-2-3-4/h2-3H2,1H3
InChIKeyCRAPMUHETNKFHI-UHFFFAOYSA-N
MW61.08 g/mol
LogP-0.93
Rot. Bonds1

About ethyl(oxido)azanium

ethyl(oxido)azanium (PubChem CID 19390107) has the molecular formula C2H7NO and a molecular weight of 61.08 g/mol. Its IUPAC name is ethyl(oxido)azanium.

Molecular Properties

Compound Nameethyl(oxido)azanium
PubChem CID19390107
Molecular FormulaC2H7NO
Molecular Weight61.08 g/mol
Exact Mass61.05
IUPAC Nameethyl(oxido)azanium
SMILESCC[NH2+][O-]
InChIInChI=1S/C2H7NO/c1-2-3-4/h2-3H2,1H3
InChIKeyCRAPMUHETNKFHI-UHFFFAOYSA-N
XLogP-0.93
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50061.08
LogP ≤ 5-0.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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(oxido)azanium?
The IUPAC name of ethyl(oxido)azanium (CID 19390107) is ethyl(oxido)azanium.
What is the SMILES notation for ethyl(oxido)azanium?
The canonical SMILES for ethyl(oxido)azanium is CC[NH2+][O-].
What is the InChIKey of ethyl(oxido)azanium?
The InChIKey is CRAPMUHETNKFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO/c1-2-3-4/h2-3H2,1H3.
What are the key properties of ethyl(oxido)azanium?
ethyl(oxido)azanium has a molecular weight of 61.08 g/mol, XLogP of -0.93, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(oxido)azanium is sourced from PubChem (CID 19390107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).