3-hept-6-enoxy-3-methylazetidine

C11H21NO — CID 107007737

IUPAC3-hept-6-enoxy-3-methylazetidine
SMILESC=CCCCCCOC1(C)CNC1
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-13-11(2)9-12-10-11/h3,12H,1,4-10H2,2H3
InChIKeyWSRZDXBJUMMASY-UHFFFAOYSA-N
MW183.29 g/mol
LogP2.11
Rot. Bonds7

About 3-hept-6-enoxy-3-methylazetidine

3-hept-6-enoxy-3-methylazetidine (PubChem CID 107007737) has the molecular formula C11H21NO and a molecular weight of 183.29 g/mol. Its IUPAC name is 3-hept-6-enoxy-3-methylazetidine.

Molecular Properties

Compound Name3-hept-6-enoxy-3-methylazetidine
PubChem CID107007737
Molecular FormulaC11H21NO
Molecular Weight183.29 g/mol
Exact Mass183.16
IUPAC Name3-hept-6-enoxy-3-methylazetidine
SMILESC=CCCCCCOC1(C)CNC1
InChIInChI=1S/C11H21NO/c1-3-4-5-6-7-8-13-11(2)9-12-10-11/h3,12H,1,4-10H2,2H3
InChIKeyWSRZDXBJUMMASY-UHFFFAOYSA-N
XLogP2.11
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.29
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-hept-6-enoxy-3-methylazetidine 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-hept-6-enoxy-3-methylazetidine?
The IUPAC name of 3-hept-6-enoxy-3-methylazetidine (CID 107007737) is 3-hept-6-enoxy-3-methylazetidine.
What is the SMILES notation for 3-hept-6-enoxy-3-methylazetidine?
The canonical SMILES for 3-hept-6-enoxy-3-methylazetidine is C=CCCCCCOC1(C)CNC1.
What is the InChIKey of 3-hept-6-enoxy-3-methylazetidine?
The InChIKey is WSRZDXBJUMMASY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21NO/c1-3-4-5-6-7-8-13-11(2)9-12-10-11/h3,12H,1,4-10H2,2H3.
What are the key properties of 3-hept-6-enoxy-3-methylazetidine?
3-hept-6-enoxy-3-methylazetidine has a molecular weight of 183.29 g/mol, XLogP of 2.11, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hept-6-enoxy-3-methylazetidine is sourced from PubChem (CID 107007737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).