1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole

C19H28N2O — CID 167253222

IUPAC1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole
SMILESCC(C)(C)N1CCc2c(C3CN(C4CCOC4)C3)cccc21
InChIInChI=1S/C19H28N2O/c1-19(2,3)21-9-7-17-16(5-4-6-18(17)21)14-11-20(12-14)15-8-10-22-13-15/h4-6,14-15H,7-13H2,1-3H3
InChIKeyRDHRDOQYPAIYOT-UHFFFAOYSA-N
MW300.45 g/mol
LogP3.04
Rot. Bonds2

About 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole

1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole (PubChem CID 167253222) has the molecular formula C19H28N2O and a molecular weight of 300.45 g/mol. Its IUPAC name is 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole.

Molecular Properties

Compound Name1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole
PubChem CID167253222
Molecular FormulaC19H28N2O
Molecular Weight300.45 g/mol
Exact Mass300.22
IUPAC Name1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole
SMILESCC(C)(C)N1CCc2c(C3CN(C4CCOC4)C3)cccc21
InChIInChI=1S/C19H28N2O/c1-19(2,3)21-9-7-17-16(5-4-6-18(17)21)14-11-20(12-14)15-8-10-22-13-15/h4-6,14-15H,7-13H2,1-3H3
InChIKeyRDHRDOQYPAIYOT-UHFFFAOYSA-N
XLogP3.04
TPSA15.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.45
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole?
The IUPAC name of 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole (CID 167253222) is 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole.
What is the SMILES notation for 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole?
The canonical SMILES for 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole is CC(C)(C)N1CCc2c(C3CN(C4CCOC4)C3)cccc21.
What is the InChIKey of 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole?
The InChIKey is RDHRDOQYPAIYOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N2O/c1-19(2,3)21-9-7-17-16(5-4-6-18(17)21)14-11-20(12-14)15-8-10-22-13-15/h4-6,14-15H,7-13H2,1-3H3.
What are the key properties of 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole?
1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole has a molecular weight of 300.45 g/mol, XLogP of 3.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-[1-(oxolan-3-yl)azetidin-3-yl]-2,3-dihydroindole is sourced from PubChem (CID 167253222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).