1,2-bis[(dihydroxyamino)oxy]propane

C3H10N2O6 — CID 88870638

IUPAC1,2-bis[(dihydroxyamino)oxy]propane
SMILESCC(CON(O)O)ON(O)O
InChIInChI=1S/C3H10N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3,6-9H,2H2,1H3
InChIKeyRELTZTLWAMBOCQ-UHFFFAOYSA-N
MW170.12 g/mol
LogP-0.60
Rot. Bonds5

About 1,2-bis[(dihydroxyamino)oxy]propane

1,2-bis[(dihydroxyamino)oxy]propane (PubChem CID 88870638) has the molecular formula C3H10N2O6 and a molecular weight of 170.12 g/mol. Its IUPAC name is 1,2-bis[(dihydroxyamino)oxy]propane.

Molecular Properties

Compound Name1,2-bis[(dihydroxyamino)oxy]propane
PubChem CID88870638
Molecular FormulaC3H10N2O6
Molecular Weight170.12 g/mol
Exact Mass170.05
IUPAC Name1,2-bis[(dihydroxyamino)oxy]propane
SMILESCC(CON(O)O)ON(O)O
InChIInChI=1S/C3H10N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3,6-9H,2H2,1H3
InChIKeyRELTZTLWAMBOCQ-UHFFFAOYSA-N
XLogP-0.60
TPSA105.86 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.12
LogP ≤ 5-0.60
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(dihydroxyamino)oxy]propane?
The IUPAC name of 1,2-bis[(dihydroxyamino)oxy]propane (CID 88870638) is 1,2-bis[(dihydroxyamino)oxy]propane.
What is the SMILES notation for 1,2-bis[(dihydroxyamino)oxy]propane?
The canonical SMILES for 1,2-bis[(dihydroxyamino)oxy]propane is CC(CON(O)O)ON(O)O.
What is the InChIKey of 1,2-bis[(dihydroxyamino)oxy]propane?
The InChIKey is RELTZTLWAMBOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H10N2O6/c1-3(11-5(8)9)2-10-4(6)7/h3,6-9H,2H2,1H3.
What are the key properties of 1,2-bis[(dihydroxyamino)oxy]propane?
1,2-bis[(dihydroxyamino)oxy]propane has a molecular weight of 170.12 g/mol, XLogP of -0.60, 5 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(dihydroxyamino)oxy]propane is sourced from PubChem (CID 88870638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).