1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone

C11H18N2O2 — CID 102656644

IUPAC1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2CC=CCC2)CNC1
InChIInChI=1S/C11H18N2O2/c1-11(8-12-9-11)15-7-10(14)13-5-3-2-4-6-13/h2-3,12H,4-9H2,1H3
InChIKeyYWDQHDKNEXIADK-UHFFFAOYSA-N
MW210.28 g/mol
LogP0.15
Rot. Bonds3

About 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone

1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102656644) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102656644
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2CC=CCC2)CNC1
InChIInChI=1S/C11H18N2O2/c1-11(8-12-9-11)15-7-10(14)13-5-3-2-4-6-13/h2-3,12H,4-9H2,1H3
InChIKeyYWDQHDKNEXIADK-UHFFFAOYSA-N
XLogP0.15
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 50.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(3-methylazetidin-3-yl)oxy-1-[4-(trifluoromethyl)-3,6-dihydro-2H-pyridin-1-yl]ethanone
CID 102656652
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-ethyl-2-(3-methylazetidin-3-yl)oxy-N-(2-methylprop-2-enyl)acetamide
CID 102655704
2-(3-Methylazetidin-3-yl)oxy-1-(4-prop-2-enylpiperazin-1-yl)ethanone
CID 102656043
N-cyclohex-3-en-1-yl-2-(3-methylazetidin-3-yl)oxyacetamide
CID 102656284

Frequently Asked Questions

What is the IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone (CID 102656644) is 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone is CC1(OCC(=O)N2CC=CCC2)CNC1.
What is the InChIKey of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is YWDQHDKNEXIADK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-11(8-12-9-11)15-7-10(14)13-5-3-2-4-6-13/h2-3,12H,4-9H2,1H3.
What are the key properties of 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 210.28 g/mol, XLogP of 0.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,6-dihydro-2H-pyridin-1-yl)-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102656644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).