2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

C11H18N2O2 — CID 107219528

IUPAC2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)C(C)=C2CNC2)C1
InChIInChI=1S/C11H18N2O2/c1-3-11(15)6-13(7-11)10(14)8(2)9-4-12-5-9/h12,15H,3-7H2,1-2H3
InChIKeyZDKDXPIUPOXLOZ-UHFFFAOYSA-N
MW210.28 g/mol
LogP-0.11
Rot. Bonds2

About 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one

2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (PubChem CID 107219528) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.

Molecular Properties

Compound Name2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
PubChem CID107219528
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one
SMILESCCC1(O)CN(C(=O)C(C)=C2CNC2)C1
InChIInChI=1S/C11H18N2O2/c1-3-11(15)6-13(7-11)10(14)8(2)9-4-12-5-9/h12,15H,3-7H2,1-2H3
InChIKeyZDKDXPIUPOXLOZ-UHFFFAOYSA-N
XLogP-0.11
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 5-0.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one 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 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The IUPAC name of 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one (CID 107219528) is 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one.
What is the SMILES notation for 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The canonical SMILES for 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is CCC1(O)CN(C(=O)C(C)=C2CNC2)C1.
What is the InChIKey of 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
The InChIKey is ZDKDXPIUPOXLOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-11(15)6-13(7-11)10(14)8(2)9-4-12-5-9/h12,15H,3-7H2,1-2H3.
What are the key properties of 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one?
2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one has a molecular weight of 210.28 g/mol, XLogP of -0.11, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-ylidene)-1-(3-ethyl-3-hydroxyazetidin-1-yl)propan-1-one is sourced from PubChem (CID 107219528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).