1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole

C16H15NO2 — CID 65046520

IUPAC1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15NO2/c1-2-4-13-12(3-1)10-17-16(13)11-5-6-14-15(9-11)19-8-7-18-14/h1-6,9,16-17H,7-8,10H2
InChIKeyMFSXZOBEPNJNEC-UHFFFAOYSA-N
MW253.30 g/mol
LogP2.65
Rot. Bonds1

About 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole

1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole (PubChem CID 65046520) has the molecular formula C16H15NO2 and a molecular weight of 253.30 g/mol. Its IUPAC name is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole.

Molecular Properties

Compound Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole
PubChem CID65046520
Molecular FormulaC16H15NO2
Molecular Weight253.30 g/mol
Exact Mass253.11
IUPAC Name1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole
SMILESc1ccc2c(c1)CNC2c1ccc2c(c1)OCCO2
InChIInChI=1S/C16H15NO2/c1-2-4-13-12(3-1)10-17-16(13)11-5-6-14-15(9-11)19-8-7-18-14/h1-6,9,16-17H,7-8,10H2
InChIKeyMFSXZOBEPNJNEC-UHFFFAOYSA-N
XLogP2.65
TPSA30.49 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole?
The IUPAC name of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole (CID 65046520) is 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole.
What is the SMILES notation for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole?
The canonical SMILES for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole is c1ccc2c(c1)CNC2c1ccc2c(c1)OCCO2.
What is the InChIKey of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole?
The InChIKey is MFSXZOBEPNJNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO2/c1-2-4-13-12(3-1)10-17-16(13)11-5-6-14-15(9-11)19-8-7-18-14/h1-6,9,16-17H,7-8,10H2.
What are the key properties of 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole?
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole has a molecular weight of 253.30 g/mol, XLogP of 2.65, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1H-isoindole is sourced from PubChem (CID 65046520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).