1-[[(E)-ethylideneamino]-oxidoamino]oxypropane

C5H11N2O2- — CID 172985668

IUPAC1-[[(E)-ethylideneamino]-oxidoamino]oxypropane
SMILESC/C=N/N([O-])OCCC
InChIInChI=1S/C5H11N2O2/c1-3-5-9-7(8)6-4-2/h4H,3,5H2,1-2H3/q-1/b6-4+
InChIKeyKLAUJXDXPICVFY-GQCTYLIASA-N
MW131.16 g/mol
LogP1.13
Rot. Bonds4

About 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane

1-[[(E)-ethylideneamino]-oxidoamino]oxypropane (PubChem CID 172985668) has the molecular formula C5H11N2O2- and a molecular weight of 131.16 g/mol. Its IUPAC name is 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane.

Molecular Properties

Compound Name1-[[(E)-ethylideneamino]-oxidoamino]oxypropane
PubChem CID172985668
Molecular FormulaC5H11N2O2-
Molecular Weight131.16 g/mol
Exact Mass131.08
IUPAC Name1-[[(E)-ethylideneamino]-oxidoamino]oxypropane
SMILESC/C=N/N([O-])OCCC
InChIInChI=1S/C5H11N2O2/c1-3-5-9-7(8)6-4-2/h4H,3,5H2,1-2H3/q-1/b6-4+
InChIKeyKLAUJXDXPICVFY-GQCTYLIASA-N
XLogP1.13
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500131.16
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane?
The IUPAC name of 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane (CID 172985668) is 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane.
What is the SMILES notation for 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane?
The canonical SMILES for 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane is C/C=N/N([O-])OCCC.
What is the InChIKey of 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane?
The InChIKey is KLAUJXDXPICVFY-GQCTYLIASA-N. The full InChI is InChI=1S/C5H11N2O2/c1-3-5-9-7(8)6-4-2/h4H,3,5H2,1-2H3/q-1/b6-4+.
What are the key properties of 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane?
1-[[(E)-ethylideneamino]-oxidoamino]oxypropane has a molecular weight of 131.16 g/mol, XLogP of 1.13, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(E)-ethylideneamino]-oxidoamino]oxypropane is sourced from PubChem (CID 172985668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).