5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole

C11H17N3O — CID 166266662

IUPAC5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESCC/C=C(\C)c1nc(N2CCCC2)no1
InChIInChI=1S/C11H17N3O/c1-3-6-9(2)10-12-11(13-15-10)14-7-4-5-8-14/h6H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyUTTDFGIPYOKNNY-RMKNXTFCSA-N
MW207.28 g/mol
LogP2.48
Rot. Bonds3

About 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole

5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole (PubChem CID 166266662) has the molecular formula C11H17N3O and a molecular weight of 207.28 g/mol. Its IUPAC name is 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole
PubChem CID166266662
Molecular FormulaC11H17N3O
Molecular Weight207.28 g/mol
Exact Mass207.14
IUPAC Name5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole
SMILESCC/C=C(\C)c1nc(N2CCCC2)no1
InChIInChI=1S/C11H17N3O/c1-3-6-9(2)10-12-11(13-15-10)14-7-4-5-8-14/h6H,3-5,7-8H2,1-2H3/b9-6+
InChIKeyUTTDFGIPYOKNNY-RMKNXTFCSA-N
XLogP2.48
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.28
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole (CID 166266662) is 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole is CC/C=C(\C)c1nc(N2CCCC2)no1.
What is the InChIKey of 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
The InChIKey is UTTDFGIPYOKNNY-RMKNXTFCSA-N. The full InChI is InChI=1S/C11H17N3O/c1-3-6-9(2)10-12-11(13-15-10)14-7-4-5-8-14/h6H,3-5,7-8H2,1-2H3/b9-6+.
What are the key properties of 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole?
5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole has a molecular weight of 207.28 g/mol, XLogP of 2.48, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-pent-2-en-2-yl]-3-pyrrolidin-1-yl-1,2,4-oxadiazole is sourced from PubChem (CID 166266662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).