3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene

C6H10N2O5-2 — CID 163662641

IUPAC3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene
SMILESC=CCON([O-])ON([O-])OCC=C
InChIInChI=1S/C6H10N2O5/c1-3-5-11-7(9)13-8(10)12-6-4-2/h3-4H,1-2,5-6H2/q-2
InChIKeyWVOPFVFKMGZRRU-UHFFFAOYSA-N
MW190.16 g/mol
LogP0.67
Rot. Bonds8

About 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene

3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene (PubChem CID 163662641) has the molecular formula C6H10N2O5-2 and a molecular weight of 190.16 g/mol. Its IUPAC name is 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene.

Molecular Properties

Compound Name3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene
PubChem CID163662641
Molecular FormulaC6H10N2O5-2
Molecular Weight190.16 g/mol
Exact Mass190.06
IUPAC Name3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene
SMILESC=CCON([O-])ON([O-])OCC=C
InChIInChI=1S/C6H10N2O5/c1-3-5-11-7(9)13-8(10)12-6-4-2/h3-4H,1-2,5-6H2/q-2
InChIKeyWVOPFVFKMGZRRU-UHFFFAOYSA-N
XLogP0.67
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.16
LogP ≤ 50.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene?
The IUPAC name of 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene (CID 163662641) is 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene.
What is the SMILES notation for 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene?
The canonical SMILES for 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene is C=CCON([O-])ON([O-])OCC=C.
What is the InChIKey of 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene?
The InChIKey is WVOPFVFKMGZRRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O5/c1-3-5-11-7(9)13-8(10)12-6-4-2/h3-4H,1-2,5-6H2/q-2.
What are the key properties of 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene?
3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene has a molecular weight of 190.16 g/mol, XLogP of 0.67, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[oxido-[oxido(prop-2-enoxy)amino]oxyamino]oxyprop-1-ene is sourced from PubChem (CID 163662641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).