1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine

C6H10N2O3 — CID 72509688

IUPAC1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine
SMILESCON=C(C)C1=NOCCO1
InChIInChI=1S/C6H10N2O3/c1-5(7-9-2)6-8-11-4-3-10-6/h3-4H2,1-2H3
InChIKeyKZHIWGPIWVANPY-UHFFFAOYSA-N
MW158.16 g/mol
LogP0.37
Rot. Bonds2

About 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine

1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine (PubChem CID 72509688) has the molecular formula C6H10N2O3 and a molecular weight of 158.16 g/mol. Its IUPAC name is 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine.

Molecular Properties

Compound Name1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine
PubChem CID72509688
Molecular FormulaC6H10N2O3
Molecular Weight158.16 g/mol
Exact Mass158.07
IUPAC Name1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine
SMILESCON=C(C)C1=NOCCO1
InChIInChI=1S/C6H10N2O3/c1-5(7-9-2)6-8-11-4-3-10-6/h3-4H2,1-2H3
InChIKeyKZHIWGPIWVANPY-UHFFFAOYSA-N
XLogP0.37
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.16
LogP ≤ 50.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine?
The IUPAC name of 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine (CID 72509688) is 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine.
What is the SMILES notation for 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine?
The canonical SMILES for 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine is CON=C(C)C1=NOCCO1.
What is the InChIKey of 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine?
The InChIKey is KZHIWGPIWVANPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O3/c1-5(7-9-2)6-8-11-4-3-10-6/h3-4H2,1-2H3.
What are the key properties of 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine?
1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine has a molecular weight of 158.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxyethanimine is sourced from PubChem (CID 72509688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).