3-[(E)-but-2-enoxy]-3-methylazetidine

C8H15NO — CID 83067433

IUPAC3-[(E)-but-2-enoxy]-3-methylazetidine
SMILESC/C=C/COC1(C)CNC1
InChIInChI=1S/C8H15NO/c1-3-4-5-10-8(2)6-9-7-8/h3-4,9H,5-7H2,1-2H3/b4-3+
InChIKeyJHQBWKFECQKLFD-ONEGZZNKSA-N
MW141.21 g/mol
LogP0.94
Rot. Bonds3

About 3-[(E)-but-2-enoxy]-3-methylazetidine

3-[(E)-but-2-enoxy]-3-methylazetidine (PubChem CID 83067433) has the molecular formula C8H15NO and a molecular weight of 141.21 g/mol. Its IUPAC name is 3-[(E)-but-2-enoxy]-3-methylazetidine.

Molecular Properties

Compound Name3-[(E)-but-2-enoxy]-3-methylazetidine
PubChem CID83067433
Molecular FormulaC8H15NO
Molecular Weight141.21 g/mol
Exact Mass141.12
IUPAC Name3-[(E)-but-2-enoxy]-3-methylazetidine
SMILESC/C=C/COC1(C)CNC1
InChIInChI=1S/C8H15NO/c1-3-4-5-10-8(2)6-9-7-8/h3-4,9H,5-7H2,1-2H3/b4-3+
InChIKeyJHQBWKFECQKLFD-ONEGZZNKSA-N
XLogP0.94
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.21
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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)-but-2-enoxy]-3-methylazetidine?
The IUPAC name of 3-[(E)-but-2-enoxy]-3-methylazetidine (CID 83067433) is 3-[(E)-but-2-enoxy]-3-methylazetidine.
What is the SMILES notation for 3-[(E)-but-2-enoxy]-3-methylazetidine?
The canonical SMILES for 3-[(E)-but-2-enoxy]-3-methylazetidine is C/C=C/COC1(C)CNC1.
What is the InChIKey of 3-[(E)-but-2-enoxy]-3-methylazetidine?
The InChIKey is JHQBWKFECQKLFD-ONEGZZNKSA-N. The full InChI is InChI=1S/C8H15NO/c1-3-4-5-10-8(2)6-9-7-8/h3-4,9H,5-7H2,1-2H3/b4-3+.
What are the key properties of 3-[(E)-but-2-enoxy]-3-methylazetidine?
3-[(E)-but-2-enoxy]-3-methylazetidine has a molecular weight of 141.21 g/mol, XLogP of 0.94, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-2-enoxy]-3-methylazetidine is sourced from PubChem (CID 83067433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).