2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide

C10H18N2O2 — CID 83066066

IUPAC2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)OC1(C)CNC1
InChIInChI=1S/C10H18N2O2/c1-4-5-12-9(13)8(2)14-10(3)6-11-7-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyVGUJUDKKJZMNFL-UHFFFAOYSA-N
MW198.27 g/mol
LogP0.06
Rot. Bonds5

About 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide

2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide (PubChem CID 83066066) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide
PubChem CID83066066
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide
SMILESC=CCNC(=O)C(C)OC1(C)CNC1
InChIInChI=1S/C10H18N2O2/c1-4-5-12-9(13)8(2)14-10(3)6-11-7-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13)
InChIKeyVGUJUDKKJZMNFL-UHFFFAOYSA-N
XLogP0.06
TPSA50.36 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide (CID 83066066) is 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide is C=CCNC(=O)C(C)OC1(C)CNC1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide?
The InChIKey is VGUJUDKKJZMNFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-5-12-9(13)8(2)14-10(3)6-11-7-10/h4,8,11H,1,5-7H2,2-3H3,(H,12,13).
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide?
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylpropanamide has a molecular weight of 198.27 g/mol, XLogP of 0.06, 5 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-prop-2-enylpropanamide is sourced from PubChem (CID 83066066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).