5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde

C4H6N2O2 — CID 175059627

IUPAC5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde
SMILESO=CC1CONC=N1
InChIInChI=1S/C4H6N2O2/c7-1-4-2-8-6-3-5-4/h1,3-4H,2H2,(H,5,6)
InChIKeyOQVQTPOJOQFLRG-UHFFFAOYSA-N
MW114.10 g/mol
LogP-0.88
Rot. Bonds1

About 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde

5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde (PubChem CID 175059627) has the molecular formula C4H6N2O2 and a molecular weight of 114.10 g/mol. Its IUPAC name is 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde.

Molecular Properties

Compound Name5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde
PubChem CID175059627
Molecular FormulaC4H6N2O2
Molecular Weight114.10 g/mol
Exact Mass114.04
IUPAC Name5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde
SMILESO=CC1CONC=N1
InChIInChI=1S/C4H6N2O2/c7-1-4-2-8-6-3-5-4/h1,3-4H,2H2,(H,5,6)
InChIKeyOQVQTPOJOQFLRG-UHFFFAOYSA-N
XLogP-0.88
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.10
LogP ≤ 5-0.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

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oxirane-2-carbaldehyde;propane-1,2,3-triol
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(2R)-oxane-2-carbaldehyde
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6-(hydroxymethyl)oxane-2-carbaldehyde
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(3R)-1,4-dioxaspiro[4.5]decane-3-carbaldehyde
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(4R)-4-(hydroxymethyl)-1,3-oxazolidine-2-carbaldehyde
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Frequently Asked Questions

What is the IUPAC name of 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde?
The IUPAC name of 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde (CID 175059627) is 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde.
What is the SMILES notation for 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde?
The canonical SMILES for 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde is O=CC1CONC=N1.
What is the InChIKey of 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde?
The InChIKey is OQVQTPOJOQFLRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2O2/c7-1-4-2-8-6-3-5-4/h1,3-4H,2H2,(H,5,6).
What are the key properties of 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde?
5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde has a molecular weight of 114.10 g/mol, XLogP of -0.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dihydro-2H-1,2,4-oxadiazine-5-carbaldehyde is sourced from PubChem (CID 175059627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).