propylazanium nitrate

C3H10N2O3 — CID 19596857

IUPACpropylazanium nitrate
SMILESCCC[NH3+].O=[N+]([O-])[O-]
InChIInChI=1S/C3H9N.NO3/c1-2-3-4;2-1(3)4/h2-4H2,1H3;/q;-1/p+1
InChIKeyCIFVCEHOLIWYSK-UHFFFAOYSA-O
MW122.12 g/mol
LogP-0.60
Rot. Bonds1

About propylazanium nitrate

propylazanium nitrate (PubChem CID 19596857) has the molecular formula C3H10N2O3 and a molecular weight of 122.12 g/mol. Its IUPAC name is propylazanium nitrate.

Molecular Properties

Compound Namepropylazanium nitrate
PubChem CID19596857
Molecular FormulaC3H10N2O3
Molecular Weight122.12 g/mol
Exact Mass122.07
IUPAC Namepropylazanium nitrate
SMILESCCC[NH3+].O=[N+]([O-])[O-]
InChIInChI=1S/C3H9N.NO3/c1-2-3-4;2-1(3)4/h2-4H2,1H3;/q;-1/p+1
InChIKeyCIFVCEHOLIWYSK-UHFFFAOYSA-O
XLogP-0.60
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500122.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of propylazanium nitrate?
The IUPAC name of propylazanium nitrate (CID 19596857) is propylazanium nitrate.
What is the SMILES notation for propylazanium nitrate?
The canonical SMILES for propylazanium nitrate is CCC[NH3+].O=[N+]([O-])[O-].
What is the InChIKey of propylazanium nitrate?
The InChIKey is CIFVCEHOLIWYSK-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9N.NO3/c1-2-3-4;2-1(3)4/h2-4H2,1H3;/q;-1/p+1.
What are the key properties of propylazanium nitrate?
propylazanium nitrate has a molecular weight of 122.12 g/mol, XLogP of -0.60, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propylazanium nitrate is sourced from PubChem (CID 19596857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).