3-[(Z)-but-1-enyl]azetidine

C7H13N — CID 126845384

IUPAC3-[(Z)-but-1-enyl]azetidine
SMILESCC/C=C\C1CNC1
InChIInChI=1S/C7H13N/c1-2-3-4-7-5-8-6-7/h3-4,7-8H,2,5-6H2,1H3/b4-3-
InChIKeyAIBPLUJGXUKASL-ARJAWSKDSA-N
MW111.19 g/mol
LogP1.17
Rot. Bonds2

About 3-[(Z)-but-1-enyl]azetidine

3-[(Z)-but-1-enyl]azetidine (PubChem CID 126845384) has the molecular formula C7H13N and a molecular weight of 111.19 g/mol. Its IUPAC name is 3-[(Z)-but-1-enyl]azetidine.

Molecular Properties

Compound Name3-[(Z)-but-1-enyl]azetidine
PubChem CID126845384
Molecular FormulaC7H13N
Molecular Weight111.19 g/mol
Exact Mass111.10
IUPAC Name3-[(Z)-but-1-enyl]azetidine
SMILESCC/C=C\C1CNC1
InChIInChI=1S/C7H13N/c1-2-3-4-7-5-8-6-7/h3-4,7-8H,2,5-6H2,1H3/b4-3-
InChIKeyAIBPLUJGXUKASL-ARJAWSKDSA-N
XLogP1.17
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500111.19
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

3-but-1-enylpyrrolidine
CID 54030286
4-[(E)-but-1-enyl]piperidine
CID 22015652
[(E)-but-1-enyl]cyclodecane
CID 173272598
1-[(E)-but-1-enyl]-4-methylcyclohexane
CID 21137229
4-[(E)-but-1-enyl]cyclohexan-1-ol
CID 19739340
5-[(E)-but-1-enyl]-1,3-dioxane
CID 86751242
1-[(E)-but-1-enyl]-4-methoxycyclohexane
CID 149274595
4-[(E)-but-1-enyl]cyclohexene
CID 21245549
1-but-1-enyl-4-(4-prop-1-enylcyclohexyl)cyclohexane;methane
CID 158214961
2-[(Z)-but-1-enyl]spiro[3.5]nonane
CID 163914586
3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
CID 126844557
2-but-1-enyl-1,3-dimethylcyclobutane
CID 123646174

Frequently Asked Questions

What is the IUPAC name of 3-[(Z)-but-1-enyl]azetidine?
The IUPAC name of 3-[(Z)-but-1-enyl]azetidine (CID 126845384) is 3-[(Z)-but-1-enyl]azetidine.
What is the SMILES notation for 3-[(Z)-but-1-enyl]azetidine?
The canonical SMILES for 3-[(Z)-but-1-enyl]azetidine is CC/C=C\C1CNC1.
What is the InChIKey of 3-[(Z)-but-1-enyl]azetidine?
The InChIKey is AIBPLUJGXUKASL-ARJAWSKDSA-N. The full InChI is InChI=1S/C7H13N/c1-2-3-4-7-5-8-6-7/h3-4,7-8H,2,5-6H2,1H3/b4-3-.
What are the key properties of 3-[(Z)-but-1-enyl]azetidine?
3-[(Z)-but-1-enyl]azetidine has a molecular weight of 111.19 g/mol, XLogP of 1.17, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(Z)-but-1-enyl]azetidine is sourced from PubChem (CID 126845384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).