2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide

C11H20N2O2 — CID 102611695

IUPAC2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(=O)COC1(C)CNC1
InChIInChI=1S/C11H20N2O2/c1-4-5-9(2)13-10(14)6-15-11(3)7-12-8-11/h4,9,12H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyWFLPJVNXGTVTBD-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.45
Rot. Bonds6

About 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide

2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide (PubChem CID 102611695) 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-pent-4-en-2-ylacetamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide
PubChem CID102611695
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide
SMILESC=CCC(C)NC(=O)COC1(C)CNC1
InChIInChI=1S/C11H20N2O2/c1-4-5-9(2)13-10(14)6-15-11(3)7-12-8-11/h4,9,12H,1,5-8H2,2-3H3,(H,13,14)
InChIKeyWFLPJVNXGTVTBD-UHFFFAOYSA-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': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-2-methyl-N-[(2R,3R)-3-methylpent-4-en-2-yl]propanamide
CID 174019067
N-butan-2-yl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83065418
2-(3-methylazetidin-3-yl)oxy-N-propan-2-ylacetamide
CID 83065748
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide
CID 83066066
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
CID 83066745
N-(1-methoxypropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 83067654
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-(1-ethoxypropan-2-yl)-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102611483
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
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-pent-4-enylacetamide
CID 102611697

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide (CID 102611695) is 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide is C=CCC(C)NC(=O)COC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide?
The InChIKey is WFLPJVNXGTVTBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-5-9(2)13-10(14)6-15-11(3)7-12-8-11/h4,9,12H,1,5-8H2,2-3H3,(H,13,14).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide?
2-(3-methylazetidin-3-yl)oxy-N-pent-4-en-2-ylacetamide 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-pent-4-en-2-ylacetamide is sourced from PubChem (CID 102611695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).