1-[2-(4-ethenylphenyl)ethyl]azetidine

C13H17N — CID 174663360

IUPAC1-[2-(4-ethenylphenyl)ethyl]azetidine
SMILESC=Cc1ccc(CCN2CCC2)cc1
InChIInChI=1S/C13H17N/c1-2-12-4-6-13(7-5-12)8-11-14-9-3-10-14/h2,4-7H,1,3,8-11H2
InChIKeyNASKMPGYVIUECN-UHFFFAOYSA-N
MW187.29 g/mol
LogP2.58
Rot. Bonds4

About 1-[2-(4-ethenylphenyl)ethyl]azetidine

1-[2-(4-ethenylphenyl)ethyl]azetidine (PubChem CID 174663360) has the molecular formula C13H17N and a molecular weight of 187.29 g/mol. Its IUPAC name is 1-[2-(4-ethenylphenyl)ethyl]azetidine.

Molecular Properties

Compound Name1-[2-(4-ethenylphenyl)ethyl]azetidine
PubChem CID174663360
Molecular FormulaC13H17N
Molecular Weight187.29 g/mol
Exact Mass187.14
IUPAC Name1-[2-(4-ethenylphenyl)ethyl]azetidine
SMILESC=Cc1ccc(CCN2CCC2)cc1
InChIInChI=1S/C13H17N/c1-2-12-4-6-13(7-5-12)8-11-14-9-3-10-14/h2,4-7H,1,3,8-11H2
InChIKeyNASKMPGYVIUECN-UHFFFAOYSA-N
XLogP2.58
TPSA3.24 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.29
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 1-[2-(4-ethenylphenyl)ethyl]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 1-[2-(4-ethenylphenyl)ethyl]azetidine?
The IUPAC name of 1-[2-(4-ethenylphenyl)ethyl]azetidine (CID 174663360) is 1-[2-(4-ethenylphenyl)ethyl]azetidine.
What is the SMILES notation for 1-[2-(4-ethenylphenyl)ethyl]azetidine?
The canonical SMILES for 1-[2-(4-ethenylphenyl)ethyl]azetidine is C=Cc1ccc(CCN2CCC2)cc1.
What is the InChIKey of 1-[2-(4-ethenylphenyl)ethyl]azetidine?
The InChIKey is NASKMPGYVIUECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N/c1-2-12-4-6-13(7-5-12)8-11-14-9-3-10-14/h2,4-7H,1,3,8-11H2.
What are the key properties of 1-[2-(4-ethenylphenyl)ethyl]azetidine?
1-[2-(4-ethenylphenyl)ethyl]azetidine has a molecular weight of 187.29 g/mol, XLogP of 2.58, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-ethenylphenyl)ethyl]azetidine is sourced from PubChem (CID 174663360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).