oxo-bis(prop-2-enoxy)azanium

C6H10NO3+ — CID 57041641

IUPACoxo-bis(prop-2-enoxy)azanium
SMILESC=CCO[N+](=O)OCC=C
InChIInChI=1S/C6H10NO3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKeyLPSDZBNNUYGOIP-UHFFFAOYSA-N
MW144.15 g/mol
LogP1.00
Rot. Bonds6

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

oxo-bis(prop-2-enoxy)azanium (PubChem CID 57041641) has the molecular formula C6H10NO3+ and a molecular weight of 144.15 g/mol. Its IUPAC name is oxo-bis(prop-2-enoxy)azanium.

Molecular Properties

Compound Nameoxo-bis(prop-2-enoxy)azanium
PubChem CID57041641
Molecular FormulaC6H10NO3+
Molecular Weight144.15 g/mol
Exact Mass144.07
IUPAC Nameoxo-bis(prop-2-enoxy)azanium
SMILESC=CCO[N+](=O)OCC=C
InChIInChI=1S/C6H10NO3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2/q+1
InChIKeyLPSDZBNNUYGOIP-UHFFFAOYSA-N
XLogP1.00
TPSA38.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.15
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 oxo-bis(prop-2-enoxy)azanium?
The IUPAC name of oxo-bis(prop-2-enoxy)azanium (CID 57041641) is oxo-bis(prop-2-enoxy)azanium.
What is the SMILES notation for oxo-bis(prop-2-enoxy)azanium?
The canonical SMILES for oxo-bis(prop-2-enoxy)azanium is C=CCO[N+](=O)OCC=C.
What is the InChIKey of oxo-bis(prop-2-enoxy)azanium?
The InChIKey is LPSDZBNNUYGOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10NO3/c1-3-5-9-7(8)10-6-4-2/h3-4H,1-2,5-6H2/q+1.
What are the key properties of oxo-bis(prop-2-enoxy)azanium?
oxo-bis(prop-2-enoxy)azanium has a molecular weight of 144.15 g/mol, XLogP of 1.00, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for oxo-bis(prop-2-enoxy)azanium is sourced from PubChem (CID 57041641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).