1-[(E)-but-2-enyl]azetidine

C7H13N — CID 5364796

IUPAC1-[(E)-but-2-enyl]azetidine
SMILESC/C=C/CN1CCC1
InChIInChI=1S/C7H13N/c1-2-3-5-8-6-4-7-8/h2-3H,4-7H2,1H3/b3-2+
InChIKeyWEFPHRCLYYRWCO-NSCUHMNNSA-N
MW111.19 g/mol
LogP1.27
Rot. Bonds2

About 1-[(E)-but-2-enyl]azetidine

1-[(E)-but-2-enyl]azetidine (PubChem CID 5364796) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 1-[(E)-but-2-enyl]azetidine.

Molecular Properties

Compound Name1-[(E)-but-2-enyl]azetidine
PubChem CID5364796
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name1-[(E)-but-2-enyl]azetidine
SMILESC/C=C/CN1CCC1
InChIInChI=1S/C7H13N/c1-2-3-5-8-6-4-7-8/h2-3H,4-7H2,1H3/b3-2+
InChIKeyWEFPHRCLYYRWCO-NSCUHMNNSA-N
XLogP1.27
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.27
H-Bond Donors ≤ 50
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 1-[(E)-but-2-enyl]azetidine?
The IUPAC name of 1-[(E)-but-2-enyl]azetidine (CID 5364796) is 1-[(E)-but-2-enyl]azetidine.
What is the SMILES notation for 1-[(E)-but-2-enyl]azetidine?
The canonical SMILES for 1-[(E)-but-2-enyl]azetidine is C/C=C/CN1CCC1.
What is the InChIKey of 1-[(E)-but-2-enyl]azetidine?
The InChIKey is WEFPHRCLYYRWCO-NSCUHMNNSA-N. The full InChI is InChI=1S/C7H13N/c1-2-3-5-8-6-4-7-8/h2-3H,4-7H2,1H3/b3-2+.
What are the key properties of 1-[(E)-but-2-enyl]azetidine?
1-[(E)-but-2-enyl]azetidine has a molecular weight of 111.19 g/mol, XLogP of 1.27, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-but-2-enyl]azetidine is sourced from PubChem (CID 5364796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).