1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone

C14H18N2O2 — CID 102611591

IUPAC1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2Cc3ccccc3C2)CNC1
InChIInChI=1S/C14H18N2O2/c1-14(9-15-10-14)18-8-13(17)16-6-11-4-2-3-5-12(11)7-16/h2-5,15H,6-10H2,1H3
InChIKeyIKJVZIGJKHRECD-UHFFFAOYSA-N
MW246.31 g/mol
LogP0.91
Rot. Bonds3

About 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone

1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone (PubChem CID 102611591) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone.

Molecular Properties

Compound Name1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone
PubChem CID102611591
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone
SMILESCC1(OCC(=O)N2Cc3ccccc3C2)CNC1
InChIInChI=1S/C14H18N2O2/c1-14(9-15-10-14)18-8-13(17)16-6-11-4-2-3-5-12(11)7-16/h2-5,15H,6-10H2,1H3
InChIKeyIKJVZIGJKHRECD-UHFFFAOYSA-N
XLogP0.91
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone 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 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The IUPAC name of 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone (CID 102611591) is 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone.
What is the SMILES notation for 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The canonical SMILES for 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone is CC1(OCC(=O)N2Cc3ccccc3C2)CNC1.
What is the InChIKey of 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
The InChIKey is IKJVZIGJKHRECD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14(9-15-10-14)18-8-13(17)16-6-11-4-2-3-5-12(11)7-16/h2-5,15H,6-10H2,1H3.
What are the key properties of 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone?
1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone has a molecular weight of 246.31 g/mol, XLogP of 0.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-dihydroisoindol-2-yl)-2-(3-methylazetidin-3-yl)oxyethanone is sourced from PubChem (CID 102611591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).