ethyl(hydroxy)azanium

C2H8NO+ — CID 18475177

IUPACethyl(hydroxy)azanium
SMILESCC[NH2+]O
InChIInChI=1S/C2H7NO/c1-2-3-4/h3-4H,2H2,1H3/p+1
InChIKeyVDUIPQNXOQMTBF-UHFFFAOYSA-O
MW62.09 g/mol
LogP-1.04
Rot. Bonds1

About ethyl(hydroxy)azanium

ethyl(hydroxy)azanium (PubChem CID 18475177) has the molecular formula C2H8NO+ and a molecular weight of 62.09 g/mol. Its IUPAC name is ethyl(hydroxy)azanium.

Molecular Properties

Compound Nameethyl(hydroxy)azanium
PubChem CID18475177
Molecular FormulaC2H8NO+
Molecular Weight62.09 g/mol
Exact Mass62.06
IUPAC Nameethyl(hydroxy)azanium
SMILESCC[NH2+]O
InChIInChI=1S/C2H7NO/c1-2-3-4/h3-4H,2H2,1H3/p+1
InChIKeyVDUIPQNXOQMTBF-UHFFFAOYSA-O
XLogP-1.04
TPSA36.84 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms4
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50062.09
LogP ≤ 5-1.04
H-Bond Donors ≤ 52
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(hydroxy)azanium?
The IUPAC name of ethyl(hydroxy)azanium (CID 18475177) is ethyl(hydroxy)azanium.
What is the SMILES notation for ethyl(hydroxy)azanium?
The canonical SMILES for ethyl(hydroxy)azanium is CC[NH2+]O.
What is the InChIKey of ethyl(hydroxy)azanium?
The InChIKey is VDUIPQNXOQMTBF-UHFFFAOYSA-O. The full InChI is InChI=1S/C2H7NO/c1-2-3-4/h3-4H,2H2,1H3/p+1.
What are the key properties of ethyl(hydroxy)azanium?
ethyl(hydroxy)azanium has a molecular weight of 62.09 g/mol, XLogP of -1.04, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl(hydroxy)azanium is sourced from PubChem (CID 18475177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).