3-cyclohex-2-en-1-yloxyazetidine

C9H15NO — CID 114620324

IUPAC3-cyclohex-2-en-1-yloxyazetidine
SMILESC1=CC(OC2CNC2)CCC1
InChIInChI=1S/C9H15NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h2,4,8-10H,1,3,5-7H2
InChIKeyWYJMUWGIOIQBDB-UHFFFAOYSA-N
MW153.23 g/mol
LogP1.08
Rot. Bonds2

About 3-cyclohex-2-en-1-yloxyazetidine

3-cyclohex-2-en-1-yloxyazetidine (PubChem CID 114620324) has the molecular formula C9H15NO and a molecular weight of 153.23 g/mol. Its IUPAC name is 3-cyclohex-2-en-1-yloxyazetidine.

Molecular Properties

Compound Name3-cyclohex-2-en-1-yloxyazetidine
PubChem CID114620324
Molecular FormulaC9H15NO
Molecular Weight153.23 g/mol
Exact Mass153.12
IUPAC Name3-cyclohex-2-en-1-yloxyazetidine
SMILESC1=CC(OC2CNC2)CCC1
InChIInChI=1S/C9H15NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h2,4,8-10H,1,3,5-7H2
InChIKeyWYJMUWGIOIQBDB-UHFFFAOYSA-N
XLogP1.08
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.23
LogP ≤ 51.08
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-cyclohex-2-en-1-yloxyazetidine?
The IUPAC name of 3-cyclohex-2-en-1-yloxyazetidine (CID 114620324) is 3-cyclohex-2-en-1-yloxyazetidine.
What is the SMILES notation for 3-cyclohex-2-en-1-yloxyazetidine?
The canonical SMILES for 3-cyclohex-2-en-1-yloxyazetidine is C1=CC(OC2CNC2)CCC1.
What is the InChIKey of 3-cyclohex-2-en-1-yloxyazetidine?
The InChIKey is WYJMUWGIOIQBDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15NO/c1-2-4-8(5-3-1)11-9-6-10-7-9/h2,4,8-10H,1,3,5-7H2.
What are the key properties of 3-cyclohex-2-en-1-yloxyazetidine?
3-cyclohex-2-en-1-yloxyazetidine has a molecular weight of 153.23 g/mol, XLogP of 1.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohex-2-en-1-yloxyazetidine is sourced from PubChem (CID 114620324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).