2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide

C11H20N2O2 — CID 102656590

IUPAC2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)COC1(C)CNC1
InChIInChI=1S/C11H20N2O2/c1-3-4-5-6-13-10(14)7-15-11(2)8-12-9-11/h3-4,12H,5-9H2,1-2H3,(H,13,14)/b4-3+
InChIKeyOGOBNDZNMDDKQP-ONEGZZNKSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds6

About 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide

2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide (PubChem CID 102656590) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide
PubChem CID102656590
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide
SMILESC/C=C/CCNC(=O)COC1(C)CNC1
InChIInChI=1S/C11H20N2O2/c1-3-4-5-6-13-10(14)7-15-11(2)8-12-9-11/h3-4,12H,5-9H2,1-2H3,(H,13,14)/b4-3+
InChIKeyOGOBNDZNMDDKQP-ONEGZZNKSA-N
XLogP0.45
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide 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

ethane;N-[(E)-pent-2-enyl]-2-propoxyacetamide
CID 154642916
2-methoxy-N-[(3Z,5E)-5-(methylaminomethyl)-2-methylidenehepta-3,5-dienyl]acetamide
CID 167152693
(Z)-N-[2-[(2-propan-2-yloxyacetyl)amino]ethyl]pent-3-enamide
CID 169650161
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide
CID 83066066
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
CID 83066745
2-(3-methylazetidin-3-yl)oxy-N,N-bis(prop-2-enyl)acetamide
CID 102610714
2-(3-methylazetidin-3-yl)oxy-N-propan-2-yl-N-prop-2-enylacetamide
CID 102611466
N-ethyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
CID 102611508
N-but-3-en-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611666
2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide
CID 102611695
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide
CID 102611697
N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656284

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide (CID 102656590) is 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide is C/C=C/CCNC(=O)COC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide?
The InChIKey is OGOBNDZNMDDKQP-ONEGZZNKSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-3-4-5-6-13-10(14)7-15-11(2)8-12-9-11/h3-4,12H,5-9H2,1-2H3,(H,13,14)/b4-3+.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide?
2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.45, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide is sourced from PubChem (CID 102656590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).