1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine

C8H12N4O — CID 106402515

IUPAC1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCc1ncon1
InChIInChI=1S/C8H12N4O/c9-7-2-1-4-12(7)5-3-8-10-6-13-11-8/h6,9H,1-5H2/b9-7+
InChIKeyAMRZDWYUYUCCFB-VQHVLOKHSA-N
MW180.21 g/mol
LogP0.69
Rot. Bonds3

About 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine

1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine (PubChem CID 106402515) has the molecular formula C8H12N4O and a molecular weight of 180.21 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine
PubChem CID106402515
Molecular FormulaC8H12N4O
Molecular Weight180.21 g/mol
Exact Mass180.10
IUPAC Name1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine
SMILES[H]/N=C1\CCCN1CCc1ncon1
InChIInChI=1S/C8H12N4O/c9-7-2-1-4-12(7)5-3-8-10-6-13-11-8/h6,9H,1-5H2/b9-7+
InChIKeyAMRZDWYUYUCCFB-VQHVLOKHSA-N
XLogP0.69
TPSA66.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.21
LogP ≤ 50.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine (CID 106402515) is 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine is [H]/N=C1\CCCN1CCc1ncon1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine?
The InChIKey is AMRZDWYUYUCCFB-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H12N4O/c9-7-2-1-4-12(7)5-3-8-10-6-13-11-8/h6,9H,1-5H2/b9-7+.
What are the key properties of 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine?
1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine has a molecular weight of 180.21 g/mol, XLogP of 0.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrrolidin-2-imine is sourced from PubChem (CID 106402515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).