2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

C11H20N2O2 — CID 114467976

IUPAC2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)CC1CNC1
InChIInChI=1S/C11H20N2O2/c1-9(2)8-15-4-3-13-11(14)5-10-6-12-7-10/h10,12H,1,3-8H2,2H3,(H,13,14)
InChIKeyKTXPMWMXAHEXSA-UHFFFAOYSA-N
MW212.29 g/mol
LogP0.30
Rot. Bonds7

About 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide

2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (PubChem CID 114467976) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.

Molecular Properties

Compound Name2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
PubChem CID114467976
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide
SMILESC=C(C)COCCNC(=O)CC1CNC1
InChIInChI=1S/C11H20N2O2/c1-9(2)8-15-4-3-13-11(14)5-10-6-12-7-10/h10,12H,1,3-8H2,2H3,(H,13,14)
InChIKeyKTXPMWMXAHEXSA-UHFFFAOYSA-N
XLogP0.30
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 50.30
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The IUPAC name of 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide (CID 114467976) is 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide.
What is the SMILES notation for 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The canonical SMILES for 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is C=C(C)COCCNC(=O)CC1CNC1.
What is the InChIKey of 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
The InChIKey is KTXPMWMXAHEXSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-9(2)8-15-4-3-13-11(14)5-10-6-12-7-10/h10,12H,1,3-8H2,2H3,(H,13,14).
What are the key properties of 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide?
2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide has a molecular weight of 212.29 g/mol, XLogP of 0.30, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-N-[2-(2-methylprop-2-enoxy)ethyl]acetamide is sourced from PubChem (CID 114467976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).