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

C5H8N2O3 — CID 18425181

IUPAC(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
SMILESCO/N=C/C1=NOCCO1
InChIInChI=1S/C5H8N2O3/c1-8-6-4-5-7-10-3-2-9-5/h4H,2-3H2,1H3/b6-4+
InChIKeyCJXFPBFRFDLIGW-GQCTYLIASA-N
MW144.13 g/mol
LogP-0.02
Rot. Bonds2

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

(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine (PubChem CID 18425181) has the molecular formula C5H8N2O3 and a molecular weight of 144.13 g/mol. Its IUPAC name is (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine.

Molecular Properties

Compound Name(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
PubChem CID18425181
Molecular FormulaC5H8N2O3
Molecular Weight144.13 g/mol
Exact Mass144.05
IUPAC Name(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine
SMILESCO/N=C/C1=NOCCO1
InChIInChI=1S/C5H8N2O3/c1-8-6-4-5-7-10-3-2-9-5/h4H,2-3H2,1H3/b6-4+
InChIKeyCJXFPBFRFDLIGW-GQCTYLIASA-N
XLogP-0.02
TPSA52.41 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.13
LogP ≤ 5-0.02
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 (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine?
The IUPAC name of (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine (CID 18425181) is (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine.
What is the SMILES notation for (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine?
The canonical SMILES for (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine is CO/N=C/C1=NOCCO1.
What is the InChIKey of (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine?
The InChIKey is CJXFPBFRFDLIGW-GQCTYLIASA-N. The full InChI is InChI=1S/C5H8N2O3/c1-8-6-4-5-7-10-3-2-9-5/h4H,2-3H2,1H3/b6-4+.
What are the key properties of (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine?
(E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine has a molecular weight of 144.13 g/mol, XLogP of -0.02, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(5,6-dihydro-1,4,2-dioxazin-3-yl)-N-methoxymethanimine is sourced from PubChem (CID 18425181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).