(5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine

C8H14N2O — CID 90739459

IUPAC(5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine
SMILESCC/C(C)=C1\CONC(C)=N1
InChIInChI=1S/C8H14N2O/c1-4-6(2)8-5-11-10-7(3)9-8/h4-5H2,1-3H3,(H,9,10)/b8-6+
InChIKeyNEIPJOSYWSRHNO-SOFGYWHQSA-N
MW154.21 g/mol
LogP1.62
Rot. Bonds1

About (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine

(5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine (PubChem CID 90739459) has the molecular formula C8H14N2O and a molecular weight of 154.21 g/mol. Its IUPAC name is (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine.

Molecular Properties

Compound Name(5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine
PubChem CID90739459
Molecular FormulaC8H14N2O
Molecular Weight154.21 g/mol
Exact Mass154.11
IUPAC Name(5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine
SMILESCC/C(C)=C1\CONC(C)=N1
InChIInChI=1S/C8H14N2O/c1-4-6(2)8-5-11-10-7(3)9-8/h4-5H2,1-3H3,(H,9,10)/b8-6+
InChIKeyNEIPJOSYWSRHNO-SOFGYWHQSA-N
XLogP1.62
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine?
The IUPAC name of (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine (CID 90739459) is (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine.
What is the SMILES notation for (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine?
The canonical SMILES for (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine is CC/C(C)=C1\CONC(C)=N1.
What is the InChIKey of (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine?
The InChIKey is NEIPJOSYWSRHNO-SOFGYWHQSA-N. The full InChI is InChI=1S/C8H14N2O/c1-4-6(2)8-5-11-10-7(3)9-8/h4-5H2,1-3H3,(H,9,10)/b8-6+.
What are the key properties of (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine?
(5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine has a molecular weight of 154.21 g/mol, XLogP of 1.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-butan-2-ylidene-3-methyl-2H-1,2,4-oxadiazine is sourced from PubChem (CID 90739459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).