3-(2-methylprop-2-enoxy)azetidine

C7H13NO — CID 53403967

IUPAC3-(2-methylprop-2-enoxy)azetidine
SMILESC=C(C)COC1CNC1
InChIInChI=1S/C7H13NO/c1-6(2)5-9-7-3-8-4-7/h7-8H,1,3-5H2,2H3
InChIKeyIRNLZWKJKCFUHQ-UHFFFAOYSA-N
MW127.19 g/mol
LogP0.55
Rot. Bonds3

About 3-(2-methylprop-2-enoxy)azetidine

3-(2-methylprop-2-enoxy)azetidine (PubChem CID 53403967) has the molecular formula C7H13NO and a molecular weight of 127.19 g/mol. Its IUPAC name is 3-(2-methylprop-2-enoxy)azetidine.

Molecular Properties

Compound Name3-(2-methylprop-2-enoxy)azetidine
PubChem CID53403967
Molecular FormulaC7H13NO
Molecular Weight127.19 g/mol
Exact Mass127.10
IUPAC Name3-(2-methylprop-2-enoxy)azetidine
SMILESC=C(C)COC1CNC1
InChIInChI=1S/C7H13NO/c1-6(2)5-9-7-3-8-4-7/h7-8H,1,3-5H2,2H3
InChIKeyIRNLZWKJKCFUHQ-UHFFFAOYSA-N
XLogP0.55
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-(2-methylprop-2-enoxy)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-(2-methylprop-2-enoxy)azetidine?
The IUPAC name of 3-(2-methylprop-2-enoxy)azetidine (CID 53403967) is 3-(2-methylprop-2-enoxy)azetidine.
What is the SMILES notation for 3-(2-methylprop-2-enoxy)azetidine?
The canonical SMILES for 3-(2-methylprop-2-enoxy)azetidine is C=C(C)COC1CNC1.
What is the InChIKey of 3-(2-methylprop-2-enoxy)azetidine?
The InChIKey is IRNLZWKJKCFUHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13NO/c1-6(2)5-9-7-3-8-4-7/h7-8H,1,3-5H2,2H3.
What are the key properties of 3-(2-methylprop-2-enoxy)azetidine?
3-(2-methylprop-2-enoxy)azetidine has a molecular weight of 127.19 g/mol, XLogP of 0.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylprop-2-enoxy)azetidine is sourced from PubChem (CID 53403967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).