oxido(propyl)azanium

C3H9NO — CID 21226530

IUPACoxido(propyl)azanium
SMILESCCC[NH2+][O-]
InChIInChI=1S/C3H9NO/c1-2-3-4-5/h2-4H2,1H3
InChIKeyQKAVAJQICNJOOM-UHFFFAOYSA-N
MW75.11 g/mol
LogP-0.54
Rot. Bonds2

About oxido(propyl)azanium

oxido(propyl)azanium (PubChem CID 21226530) has the molecular formula C3H9NO and a molecular weight of 75.11 g/mol. Its IUPAC name is oxido(propyl)azanium.

Molecular Properties

Compound Nameoxido(propyl)azanium
PubChem CID21226530
Molecular FormulaC3H9NO
Molecular Weight75.11 g/mol
Exact Mass75.07
IUPAC Nameoxido(propyl)azanium
SMILESCCC[NH2+][O-]
InChIInChI=1S/C3H9NO/c1-2-3-4-5/h2-4H2,1H3
InChIKeyQKAVAJQICNJOOM-UHFFFAOYSA-N
XLogP-0.54
TPSA39.67 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms5
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50075.11
LogP ≤ 5-0.54
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 oxido(propyl)azanium?
The IUPAC name of oxido(propyl)azanium (CID 21226530) is oxido(propyl)azanium.
What is the SMILES notation for oxido(propyl)azanium?
The canonical SMILES for oxido(propyl)azanium is CCC[NH2+][O-].
What is the InChIKey of oxido(propyl)azanium?
The InChIKey is QKAVAJQICNJOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H9NO/c1-2-3-4-5/h2-4H2,1H3.
What are the key properties of oxido(propyl)azanium?
oxido(propyl)azanium has a molecular weight of 75.11 g/mol, XLogP of -0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for oxido(propyl)azanium is sourced from PubChem (CID 21226530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).