3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride

C11H20ClN — CID 126844557

IUPAC3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
SMILESC(=C/C1CNC1)\C1CCCCC1.Cl
InChIInChI=1S/C11H19N.ClH/c1-2-4-10(5-3-1)6-7-11-8-12-9-11;/h6-7,10-12H,1-5,8-9H2;1H/b7-6+;
InChIKeyDJELSJUNNAHJSF-UHDJGPCESA-N
MW201.74 g/mol
LogP2.76
Rot. Bonds2

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

3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride (PubChem CID 126844557) has the molecular formula C11H20ClN and a molecular weight of 201.74 g/mol. Its IUPAC name is 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride.

Molecular Properties

Compound Name3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
PubChem CID126844557
Molecular FormulaC11H20ClN
Molecular Weight201.74 g/mol
Exact Mass201.13
IUPAC Name3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride
SMILESC(=C/C1CNC1)\C1CCCCC1.Cl
InChIInChI=1S/C11H19N.ClH/c1-2-4-10(5-3-1)6-7-11-8-12-9-11;/h6-7,10-12H,1-5,8-9H2;1H/b7-6+;
InChIKeyDJELSJUNNAHJSF-UHDJGPCESA-N
XLogP2.76
TPSA12.03 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.74
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclohexylethenylcyclohexane
CID 4124459
(Z)-3-cycloheptylprop-2-enenitrile
CID 11636824
[(E)-but-1-en-3-ynyl]cyclohexane
CID 14529129
prop-1-enylcyclododecane
CID 139760926
2-iodoethenylcyclohexane
CID 71361827
(E)-2-cyclohexylethenethiol
CID 142947684
(12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocycloundeca[c]pyrrole
CID 122625912
(3R)-piperidine-3-carbaldehyde;dihydrochloride
CID 138683513
3-cyclohexylprop-2-enal
CID 54063598
(E)-2-cyclopentylethenamine
CID 144971488
2-piperidin-3-ylethenol
CID 143898593
[(E)-but-1-enyl]cyclodecane
CID 173272598

Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride?
The IUPAC name of 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride (CID 126844557) is 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride.
What is the SMILES notation for 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride?
The canonical SMILES for 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride is C(=C/C1CNC1)\C1CCCCC1.Cl.
What is the InChIKey of 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride?
The InChIKey is DJELSJUNNAHJSF-UHDJGPCESA-N. The full InChI is InChI=1S/C11H19N.ClH/c1-2-4-10(5-3-1)6-7-11-8-12-9-11;/h6-7,10-12H,1-5,8-9H2;1H/b7-6+;.
What are the key properties of 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride?
3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride has a molecular weight of 201.74 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-cyclohexylethenyl]azetidine;hydrochloride is sourced from PubChem (CID 126844557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).