hydroxy(propyl)azanium nitrate

C3H10N2O4 — CID 22114439

IUPAChydroxy(propyl)azanium nitrate
SMILESCCC[NH2+]O.O=[N+]([O-])[O-]
InChIInChI=1S/C3H9NO.NO3/c1-2-3-4-5;2-1(3)4/h4-5H,2-3H2,1H3;/q;-1/p+1
InChIKeyTUCBYVMROAWYNR-UHFFFAOYSA-O
MW138.12 g/mol
LogP-0.89
Rot. Bonds2

About hydroxy(propyl)azanium nitrate

hydroxy(propyl)azanium nitrate (PubChem CID 22114439) has the molecular formula C3H10N2O4 and a molecular weight of 138.12 g/mol. Its IUPAC name is hydroxy(propyl)azanium nitrate.

Molecular Properties

Compound Namehydroxy(propyl)azanium nitrate
PubChem CID22114439
Molecular FormulaC3H10N2O4
Molecular Weight138.12 g/mol
Exact Mass138.06
IUPAC Namehydroxy(propyl)azanium nitrate
SMILESCCC[NH2+]O.O=[N+]([O-])[O-]
InChIInChI=1S/C3H9NO.NO3/c1-2-3-4-5;2-1(3)4/h4-5H,2-3H2,1H3;/q;-1/p+1
InChIKeyTUCBYVMROAWYNR-UHFFFAOYSA-O
XLogP-0.89
TPSA103.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.12
LogP ≤ 5-0.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 hydroxy(propyl)azanium nitrate?
The IUPAC name of hydroxy(propyl)azanium nitrate (CID 22114439) is hydroxy(propyl)azanium nitrate.
What is the SMILES notation for hydroxy(propyl)azanium nitrate?
The canonical SMILES for hydroxy(propyl)azanium nitrate is CCC[NH2+]O.O=[N+]([O-])[O-].
What is the InChIKey of hydroxy(propyl)azanium nitrate?
The InChIKey is TUCBYVMROAWYNR-UHFFFAOYSA-O. The full InChI is InChI=1S/C3H9NO.NO3/c1-2-3-4-5;2-1(3)4/h4-5H,2-3H2,1H3;/q;-1/p+1.
What are the key properties of hydroxy(propyl)azanium nitrate?
hydroxy(propyl)azanium nitrate has a molecular weight of 138.12 g/mol, XLogP of -0.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for hydroxy(propyl)azanium nitrate is sourced from PubChem (CID 22114439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).