2-pyrrolidin-3-yl-1,3,4-oxadiazole

C6H9N3O — CID 55286899

IUPAC2-pyrrolidin-3-yl-1,3,4-oxadiazole
SMILESc1nnc(C2CCNC2)o1
InChIInChI=1S/C6H9N3O/c1-2-7-3-5(1)6-9-8-4-10-6/h4-5,7H,1-3H2
InChIKeyCAKHSVKNGDOJQR-UHFFFAOYSA-N
MW139.16 g/mol
LogP0.15
Rot. Bonds1

About 2-pyrrolidin-3-yl-1,3,4-oxadiazole

2-pyrrolidin-3-yl-1,3,4-oxadiazole (PubChem CID 55286899) has the molecular formula C6H9N3O and a molecular weight of 139.16 g/mol. Its IUPAC name is 2-pyrrolidin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-pyrrolidin-3-yl-1,3,4-oxadiazole
PubChem CID55286899
Molecular FormulaC6H9N3O
Molecular Weight139.16 g/mol
Exact Mass139.07
IUPAC Name2-pyrrolidin-3-yl-1,3,4-oxadiazole
SMILESc1nnc(C2CCNC2)o1
InChIInChI=1S/C6H9N3O/c1-2-7-3-5(1)6-9-8-4-10-6/h4-5,7H,1-3H2
InChIKeyCAKHSVKNGDOJQR-UHFFFAOYSA-N
XLogP0.15
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500139.16
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-pyrrolidin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-pyrrolidin-3-yl-1,3,4-oxadiazole (CID 55286899) is 2-pyrrolidin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-pyrrolidin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-pyrrolidin-3-yl-1,3,4-oxadiazole is c1nnc(C2CCNC2)o1.
What is the InChIKey of 2-pyrrolidin-3-yl-1,3,4-oxadiazole?
The InChIKey is CAKHSVKNGDOJQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O/c1-2-7-3-5(1)6-9-8-4-10-6/h4-5,7H,1-3H2.
What are the key properties of 2-pyrrolidin-3-yl-1,3,4-oxadiazole?
2-pyrrolidin-3-yl-1,3,4-oxadiazole has a molecular weight of 139.16 g/mol, XLogP of 0.15, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrolidin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 55286899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).