ethoxy-oxo-propoxyazanium

C5H12NO3+ — CID 88792465

IUPACethoxy-oxo-propoxyazanium
SMILESCCCO[N+](=O)OCC
InChIInChI=1S/C5H12NO3/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3/q+1
InChIKeyIYZZNFCSTUCIHV-UHFFFAOYSA-N
MW134.16 g/mol
LogP1.06
Rot. Bonds5

About ethoxy-oxo-propoxyazanium

ethoxy-oxo-propoxyazanium (PubChem CID 88792465) has the molecular formula C5H12NO3+ and a molecular weight of 134.16 g/mol. Its IUPAC name is ethoxy-oxo-propoxyazanium.

Molecular Properties

Compound Nameethoxy-oxo-propoxyazanium
PubChem CID88792465
Molecular FormulaC5H12NO3+
Molecular Weight134.16 g/mol
Exact Mass134.08
IUPAC Nameethoxy-oxo-propoxyazanium
SMILESCCCO[N+](=O)OCC
InChIInChI=1S/C5H12NO3/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3/q+1
InChIKeyIYZZNFCSTUCIHV-UHFFFAOYSA-N
XLogP1.06
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500134.16
LogP ≤ 51.06
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 ethoxy-oxo-propoxyazanium?
The IUPAC name of ethoxy-oxo-propoxyazanium (CID 88792465) is ethoxy-oxo-propoxyazanium.
What is the SMILES notation for ethoxy-oxo-propoxyazanium?
The canonical SMILES for ethoxy-oxo-propoxyazanium is CCCO[N+](=O)OCC.
What is the InChIKey of ethoxy-oxo-propoxyazanium?
The InChIKey is IYZZNFCSTUCIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H12NO3/c1-3-5-9-6(7)8-4-2/h3-5H2,1-2H3/q+1.
What are the key properties of ethoxy-oxo-propoxyazanium?
ethoxy-oxo-propoxyazanium has a molecular weight of 134.16 g/mol, XLogP of 1.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxy-oxo-propoxyazanium is sourced from PubChem (CID 88792465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).