3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one

C6H9N3O2 — CID 21193469

IUPAC3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one
SMILESO=c1ocnn1C1CCNC1
InChIInChI=1S/C6H9N3O2/c10-6-9(8-4-11-6)5-1-2-7-3-5/h4-5,7H,1-3H2
InChIKeyYBWBZZUMJVFILK-UHFFFAOYSA-N
MW155.16 g/mol
LogP-0.63
Rot. Bonds1

About 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one

3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one (PubChem CID 21193469) has the molecular formula C6H9N3O2 and a molecular weight of 155.16 g/mol. Its IUPAC name is 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one
PubChem CID21193469
Molecular FormulaC6H9N3O2
Molecular Weight155.16 g/mol
Exact Mass155.07
IUPAC Name3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one
SMILESO=c1ocnn1C1CCNC1
InChIInChI=1S/C6H9N3O2/c10-6-9(8-4-11-6)5-1-2-7-3-5/h4-5,7H,1-3H2
InChIKeyYBWBZZUMJVFILK-UHFFFAOYSA-N
XLogP-0.63
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.16
LogP ≤ 5-0.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one (CID 21193469) is 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one is O=c1ocnn1C1CCNC1.
What is the InChIKey of 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one?
The InChIKey is YBWBZZUMJVFILK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2/c10-6-9(8-4-11-6)5-1-2-7-3-5/h4-5,7H,1-3H2.
What are the key properties of 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one?
3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one has a molecular weight of 155.16 g/mol, XLogP of -0.63, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyrrolidin-3-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 21193469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).