3-(cyclohex-3-en-1-ylmethoxy)azetidine

C10H17NO — CID 165499495

IUPAC3-(cyclohex-3-en-1-ylmethoxy)azetidine
SMILESC1=CCC(COC2CNC2)CC1
InChIInChI=1S/C10H17NO/c1-2-4-9(5-3-1)8-12-10-6-11-7-10/h1-2,9-11H,3-8H2
InChIKeyIFWWSXOKXDSFED-UHFFFAOYSA-N
MW167.25 g/mol
LogP1.33
Rot. Bonds3

About 3-(cyclohex-3-en-1-ylmethoxy)azetidine

3-(cyclohex-3-en-1-ylmethoxy)azetidine (PubChem CID 165499495) has the molecular formula C10H17NO and a molecular weight of 167.25 g/mol. Its IUPAC name is 3-(cyclohex-3-en-1-ylmethoxy)azetidine.

Molecular Properties

Compound Name3-(cyclohex-3-en-1-ylmethoxy)azetidine
PubChem CID165499495
Molecular FormulaC10H17NO
Molecular Weight167.25 g/mol
Exact Mass167.13
IUPAC Name3-(cyclohex-3-en-1-ylmethoxy)azetidine
SMILESC1=CCC(COC2CNC2)CC1
InChIInChI=1S/C10H17NO/c1-2-4-9(5-3-1)8-12-10-6-11-7-10/h1-2,9-11H,3-8H2
InChIKeyIFWWSXOKXDSFED-UHFFFAOYSA-N
XLogP1.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.25
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(cyclohex-3-en-1-ylmethoxy)azetidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(cyclohex-3-en-1-ylmethoxy)azetidine?
The IUPAC name of 3-(cyclohex-3-en-1-ylmethoxy)azetidine (CID 165499495) is 3-(cyclohex-3-en-1-ylmethoxy)azetidine.
What is the SMILES notation for 3-(cyclohex-3-en-1-ylmethoxy)azetidine?
The canonical SMILES for 3-(cyclohex-3-en-1-ylmethoxy)azetidine is C1=CCC(COC2CNC2)CC1.
What is the InChIKey of 3-(cyclohex-3-en-1-ylmethoxy)azetidine?
The InChIKey is IFWWSXOKXDSFED-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17NO/c1-2-4-9(5-3-1)8-12-10-6-11-7-10/h1-2,9-11H,3-8H2.
What are the key properties of 3-(cyclohex-3-en-1-ylmethoxy)azetidine?
3-(cyclohex-3-en-1-ylmethoxy)azetidine has a molecular weight of 167.25 g/mol, XLogP of 1.33, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclohex-3-en-1-ylmethoxy)azetidine is sourced from PubChem (CID 165499495), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).