3-pent-2-en-3-yl-1,2,4-oxadiazole

C7H10N2O — CID 91112920

IUPAC3-pent-2-en-3-yl-1,2,4-oxadiazole
SMILESCC=C(CC)c1ncon1
InChIInChI=1S/C7H10N2O/c1-3-6(4-2)7-8-5-10-9-7/h3,5H,4H2,1-2H3
InChIKeyXIKVOXVWUMIYEY-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.88
Rot. Bonds2

About 3-pent-2-en-3-yl-1,2,4-oxadiazole

3-pent-2-en-3-yl-1,2,4-oxadiazole (PubChem CID 91112920) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 3-pent-2-en-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pent-2-en-3-yl-1,2,4-oxadiazole
PubChem CID91112920
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name3-pent-2-en-3-yl-1,2,4-oxadiazole
SMILESCC=C(CC)c1ncon1
InChIInChI=1S/C7H10N2O/c1-3-6(4-2)7-8-5-10-9-7/h3,5H,4H2,1-2H3
InChIKeyXIKVOXVWUMIYEY-UHFFFAOYSA-N
XLogP1.88
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pent-2-en-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-pent-2-en-3-yl-1,2,4-oxadiazole (CID 91112920) is 3-pent-2-en-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-pent-2-en-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-pent-2-en-3-yl-1,2,4-oxadiazole is CC=C(CC)c1ncon1.
What is the InChIKey of 3-pent-2-en-3-yl-1,2,4-oxadiazole?
The InChIKey is XIKVOXVWUMIYEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-6(4-2)7-8-5-10-9-7/h3,5H,4H2,1-2H3.
What are the key properties of 3-pent-2-en-3-yl-1,2,4-oxadiazole?
3-pent-2-en-3-yl-1,2,4-oxadiazole has a molecular weight of 138.17 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pent-2-en-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 91112920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).