3-[(E)-but-2-enoxy]azetidine;hydrochloride

C7H14ClNO — CID 67154699

IUPAC3-[(E)-but-2-enoxy]azetidine;hydrochloride
SMILESC/C=C/COC1CNC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-3-4-9-7-5-8-6-7;/h2-3,7-8H,4-6H2,1H3;1H/b3-2+;
InChIKeyMGJZQZZGIQFPLX-SQQVDAMQSA-N
MW163.65 g/mol
LogP0.97
Rot. Bonds3

About 3-[(E)-but-2-enoxy]azetidine;hydrochloride

3-[(E)-but-2-enoxy]azetidine;hydrochloride (PubChem CID 67154699) has the molecular formula C7H14ClNO and a molecular weight of 163.65 g/mol. Its IUPAC name is 3-[(E)-but-2-enoxy]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-but-2-enoxy]azetidine;hydrochloride
PubChem CID67154699
Molecular FormulaC7H14ClNO
Molecular Weight163.65 g/mol
Exact Mass163.08
IUPAC Name3-[(E)-but-2-enoxy]azetidine;hydrochloride
SMILESC/C=C/COC1CNC1.Cl
InChIInChI=1S/C7H13NO.ClH/c1-2-3-4-9-7-5-8-6-7;/h2-3,7-8H,4-6H2,1H3;1H/b3-2+;
InChIKeyMGJZQZZGIQFPLX-SQQVDAMQSA-N
XLogP0.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500163.65
LogP ≤ 50.97
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]azetidine;hydrochloride?
The IUPAC name of 3-[(E)-but-2-enoxy]azetidine;hydrochloride (CID 67154699) is 3-[(E)-but-2-enoxy]azetidine;hydrochloride.
What is the SMILES notation for 3-[(E)-but-2-enoxy]azetidine;hydrochloride?
The canonical SMILES for 3-[(E)-but-2-enoxy]azetidine;hydrochloride is C/C=C/COC1CNC1.Cl.
What is the InChIKey of 3-[(E)-but-2-enoxy]azetidine;hydrochloride?
The InChIKey is MGJZQZZGIQFPLX-SQQVDAMQSA-N. The full InChI is InChI=1S/C7H13NO.ClH/c1-2-3-4-9-7-5-8-6-7;/h2-3,7-8H,4-6H2,1H3;1H/b3-2+;.
What are the key properties of 3-[(E)-but-2-enoxy]azetidine;hydrochloride?
3-[(E)-but-2-enoxy]azetidine;hydrochloride has a molecular weight of 163.65 g/mol, XLogP of 0.97, 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]azetidine;hydrochloride is sourced from PubChem (CID 67154699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).