3-(1-methoxyethenyl)azetidine

C6H11NO — CID 176930542

IUPAC3-(1-methoxyethenyl)azetidine
SMILESC=C(OC)C1CNC1
InChIInChI=1S/C6H11NO/c1-5(8-2)6-3-7-4-6/h6-7H,1,3-4H2,2H3
InChIKeyYUGAUSNCUJVARD-UHFFFAOYSA-N
MW113.16 g/mol
LogP0.37
Rot. Bonds2

About 3-(1-methoxyethenyl)azetidine

3-(1-methoxyethenyl)azetidine (PubChem CID 176930542) has the molecular formula C6H11NO and a molecular weight of 113.16 g/mol. Its IUPAC name is 3-(1-methoxyethenyl)azetidine.

Molecular Properties

Compound Name3-(1-methoxyethenyl)azetidine
PubChem CID176930542
Molecular FormulaC6H11NO
Molecular Weight113.16 g/mol
Exact Mass113.08
IUPAC Name3-(1-methoxyethenyl)azetidine
SMILESC=C(OC)C1CNC1
InChIInChI=1S/C6H11NO/c1-5(8-2)6-3-7-4-6/h6-7H,1,3-4H2,2H3
InChIKeyYUGAUSNCUJVARD-UHFFFAOYSA-N
XLogP0.37
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.16
LogP ≤ 50.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(1-methoxyethenyl)azetidine?
The IUPAC name of 3-(1-methoxyethenyl)azetidine (CID 176930542) is 3-(1-methoxyethenyl)azetidine.
What is the SMILES notation for 3-(1-methoxyethenyl)azetidine?
The canonical SMILES for 3-(1-methoxyethenyl)azetidine is C=C(OC)C1CNC1.
What is the InChIKey of 3-(1-methoxyethenyl)azetidine?
The InChIKey is YUGAUSNCUJVARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11NO/c1-5(8-2)6-3-7-4-6/h6-7H,1,3-4H2,2H3.
What are the key properties of 3-(1-methoxyethenyl)azetidine?
3-(1-methoxyethenyl)azetidine has a molecular weight of 113.16 g/mol, XLogP of 0.37, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methoxyethenyl)azetidine is sourced from PubChem (CID 176930542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).