5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole

C12H16N2O — CID 176913255

IUPAC5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole
SMILESCN1Cc2ccc(OC3CNC3)cc2C1
InChIInChI=1S/C12H16N2O/c1-14-7-9-2-3-11(4-10(9)8-14)15-12-5-13-6-12/h2-4,12-13H,5-8H2,1H3
InChIKeyRXVMOPDCENDSHV-UHFFFAOYSA-N
MW204.27 g/mol
LogP0.98
Rot. Bonds2

About 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole

5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole (PubChem CID 176913255) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole
PubChem CID176913255
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole
SMILESCN1Cc2ccc(OC3CNC3)cc2C1
InChIInChI=1S/C12H16N2O/c1-14-7-9-2-3-11(4-10(9)8-14)15-12-5-13-6-12/h2-4,12-13H,5-8H2,1H3
InChIKeyRXVMOPDCENDSHV-UHFFFAOYSA-N
XLogP0.98
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole?
The IUPAC name of 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole (CID 176913255) is 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole.
What is the SMILES notation for 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole?
The canonical SMILES for 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole is CN1Cc2ccc(OC3CNC3)cc2C1.
What is the InChIKey of 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole?
The InChIKey is RXVMOPDCENDSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O/c1-14-7-9-2-3-11(4-10(9)8-14)15-12-5-13-6-12/h2-4,12-13H,5-8H2,1H3.
What are the key properties of 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole?
5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole has a molecular weight of 204.27 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yloxy)-2-methyl-1,3-dihydroisoindole is sourced from PubChem (CID 176913255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).