azane;oxo-bis(prop-2-enoxy)azanium

C6H13N2O3+ — CID 87065057

IUPACazane;oxo-bis(prop-2-enoxy)azanium
SMILESC=CCO[N+](=O)OCC=C.N
InChIInChI=1S/C6H10NO3.H3N/c1-3-5-9-7(8)10-6-4-2;/h3-4H,1-2,5-6H2;1H3/q+1;
InChIKeyKGIYENNGXHTODL-UHFFFAOYSA-N
MW161.18 g/mol
LogP1.16
Rot. Bonds6

About azane;oxo-bis(prop-2-enoxy)azanium

azane;oxo-bis(prop-2-enoxy)azanium (PubChem CID 87065057) has the molecular formula C6H13N2O3+ and a molecular weight of 161.18 g/mol. Its IUPAC name is azane;oxo-bis(prop-2-enoxy)azanium.

Molecular Properties

Compound Nameazane;oxo-bis(prop-2-enoxy)azanium
PubChem CID87065057
Molecular FormulaC6H13N2O3+
Molecular Weight161.18 g/mol
Exact Mass161.09
IUPAC Nameazane;oxo-bis(prop-2-enoxy)azanium
SMILESC=CCO[N+](=O)OCC=C.N
InChIInChI=1S/C6H10NO3.H3N/c1-3-5-9-7(8)10-6-4-2;/h3-4H,1-2,5-6H2;1H3/q+1;
InChIKeyKGIYENNGXHTODL-UHFFFAOYSA-N
XLogP1.16
TPSA73.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.18
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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 azane;oxo-bis(prop-2-enoxy)azanium?
The IUPAC name of azane;oxo-bis(prop-2-enoxy)azanium (CID 87065057) is azane;oxo-bis(prop-2-enoxy)azanium.
What is the SMILES notation for azane;oxo-bis(prop-2-enoxy)azanium?
The canonical SMILES for azane;oxo-bis(prop-2-enoxy)azanium is C=CCO[N+](=O)OCC=C.N.
What is the InChIKey of azane;oxo-bis(prop-2-enoxy)azanium?
The InChIKey is KGIYENNGXHTODL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO3.H3N/c1-3-5-9-7(8)10-6-4-2;/h3-4H,1-2,5-6H2;1H3/q+1;.
What are the key properties of azane;oxo-bis(prop-2-enoxy)azanium?
azane;oxo-bis(prop-2-enoxy)azanium has a molecular weight of 161.18 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for azane;oxo-bis(prop-2-enoxy)azanium is sourced from PubChem (CID 87065057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).