3-[(E)-2-methylbut-2-enyl]azetidine

C8H15N — CID 138638628

IUPAC3-[(E)-2-methylbut-2-enyl]azetidine
SMILESC/C=C(\C)CC1CNC1
InChIInChI=1S/C8H15N/c1-3-7(2)4-8-5-9-6-8/h3,8-9H,4-6H2,1-2H3/b7-3+
InChIKeyOHAGMDANABKZEH-XVNBXDOJSA-N
MW125.21 g/mol
LogP1.56
Rot. Bonds2

About 3-[(E)-2-methylbut-2-enyl]azetidine

3-[(E)-2-methylbut-2-enyl]azetidine (PubChem CID 138638628) has the molecular formula C8H15N and a molecular weight of 125.21 g/mol. Its IUPAC name is 3-[(E)-2-methylbut-2-enyl]azetidine.

Molecular Properties

Compound Name3-[(E)-2-methylbut-2-enyl]azetidine
PubChem CID138638628
Molecular FormulaC8H15N
Molecular Weight125.21 g/mol
Exact Mass125.12
IUPAC Name3-[(E)-2-methylbut-2-enyl]azetidine
SMILESC/C=C(\C)CC1CNC1
InChIInChI=1S/C8H15N/c1-3-7(2)4-8-5-9-6-8/h3,8-9H,4-6H2,1-2H3/b7-3+
InChIKeyOHAGMDANABKZEH-XVNBXDOJSA-N
XLogP1.56
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500125.21
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-methylbut-2-enyl]azetidine?
The IUPAC name of 3-[(E)-2-methylbut-2-enyl]azetidine (CID 138638628) is 3-[(E)-2-methylbut-2-enyl]azetidine.
What is the SMILES notation for 3-[(E)-2-methylbut-2-enyl]azetidine?
The canonical SMILES for 3-[(E)-2-methylbut-2-enyl]azetidine is C/C=C(\C)CC1CNC1.
What is the InChIKey of 3-[(E)-2-methylbut-2-enyl]azetidine?
The InChIKey is OHAGMDANABKZEH-XVNBXDOJSA-N. The full InChI is InChI=1S/C8H15N/c1-3-7(2)4-8-5-9-6-8/h3,8-9H,4-6H2,1-2H3/b7-3+.
What are the key properties of 3-[(E)-2-methylbut-2-enyl]azetidine?
3-[(E)-2-methylbut-2-enyl]azetidine has a molecular weight of 125.21 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-methylbut-2-enyl]azetidine is sourced from PubChem (CID 138638628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).