(E)-but-2-ene;3-methyl-1,2,4-oxadiazole

C7H12N2O — CID 143329017

IUPAC(E)-but-2-ene;3-methyl-1,2,4-oxadiazole
SMILESC/C=C/C.Cc1ncon1
InChIInChI=1S/C4H8.C3H4N2O/c1-3-4-2;1-3-4-2-6-5-3/h3-4H,1-2H3;2H,1H3/b4-3+;
InChIKeyWPEUZMOYCQNCSJ-BJILWQEISA-N
MW140.19 g/mol
LogP1.96
Rot. Bonds

About (E)-but-2-ene;3-methyl-1,2,4-oxadiazole

(E)-but-2-ene;3-methyl-1,2,4-oxadiazole (PubChem CID 143329017) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is (E)-but-2-ene;3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name(E)-but-2-ene;3-methyl-1,2,4-oxadiazole
PubChem CID143329017
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name(E)-but-2-ene;3-methyl-1,2,4-oxadiazole
SMILESC/C=C/C.Cc1ncon1
InChIInChI=1S/C4H8.C3H4N2O/c1-3-4-2;1-3-4-2-6-5-3/h3-4H,1-2H3;2H,1H3/b4-3+;
InChIKeyWPEUZMOYCQNCSJ-BJILWQEISA-N
XLogP1.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-but-2-ene;3-methyl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-but-2-ene;3-methyl-1,2,4-oxadiazole?
The IUPAC name of (E)-but-2-ene;3-methyl-1,2,4-oxadiazole (CID 143329017) is (E)-but-2-ene;3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for (E)-but-2-ene;3-methyl-1,2,4-oxadiazole?
The canonical SMILES for (E)-but-2-ene;3-methyl-1,2,4-oxadiazole is C/C=C/C.Cc1ncon1.
What is the InChIKey of (E)-but-2-ene;3-methyl-1,2,4-oxadiazole?
The InChIKey is WPEUZMOYCQNCSJ-BJILWQEISA-N. The full InChI is InChI=1S/C4H8.C3H4N2O/c1-3-4-2;1-3-4-2-6-5-3/h3-4H,1-2H3;2H,1H3/b4-3+;.
What are the key properties of (E)-but-2-ene;3-methyl-1,2,4-oxadiazole?
(E)-but-2-ene;3-methyl-1,2,4-oxadiazole has a molecular weight of 140.19 g/mol, XLogP of 1.96, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-but-2-ene;3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 143329017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).