2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

C12H20N2O2 — CID 106313835

IUPAC2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCCN(C(=O)COC2(C)CNC2)C1
InChIInChI=1S/C12H20N2O2/c1-10-4-3-5-14(6-10)11(15)7-16-12(2)8-13-9-12/h4,13H,3,5-9H2,1-2H3
InChIKeyBKQRPWXVYTVNPM-UHFFFAOYSA-N
MW224.30 g/mol
LogP0.54
Rot. Bonds3

About 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone

2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (PubChem CID 106313835) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.

Molecular Properties

Compound Name2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
PubChem CID106313835
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone
SMILESCC1=CCCN(C(=O)COC2(C)CNC2)C1
InChIInChI=1S/C12H20N2O2/c1-10-4-3-5-14(6-10)11(15)7-16-12(2)8-13-9-12/h4,13H,3,5-9H2,1-2H3
InChIKeyBKQRPWXVYTVNPM-UHFFFAOYSA-N
XLogP0.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 50.54
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-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
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
N-methyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
CID 102656484
2-(3-methylazetidin-3-yl)oxy-N-prop-2-enyl-N-propylacetamide
CID 102656485
N-tert-butyl-2-(3-methylazetidin-3-yl)oxy-N-prop-2-enylacetamide
CID 102656487
2-(3-methylazetidin-3-yl)oxy-N-[(E)-pent-3-enyl]acetamide
CID 102656590

Frequently Asked Questions

What is the IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The IUPAC name of 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone (CID 106313835) is 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone.
What is the SMILES notation for 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The canonical SMILES for 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is CC1=CCCN(C(=O)COC2(C)CNC2)C1.
What is the InChIKey of 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
The InChIKey is BKQRPWXVYTVNPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-10-4-3-5-14(6-10)11(15)7-16-12(2)8-13-9-12/h4,13H,3,5-9H2,1-2H3.
What are the key properties of 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone?
2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone has a molecular weight of 224.30 g/mol, XLogP of 0.54, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylazetidin-3-yl)oxy-1-(5-methyl-3,6-dihydro-2H-pyridin-1-yl)ethanone is sourced from PubChem (CID 106313835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).