1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole

C15H22BNO2 — CID 133062570

IUPAC1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole
SMILESCN1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21
InChIInChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-6-8-13-11(12)9-10-17(13)5/h6-8H,9-10H2,1-5H3
InChIKeyNDIWXDZMKUDVGM-UHFFFAOYSA-N
MW259.16 g/mol
LogP1.98
Rot. Bonds1

About 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole

1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole (PubChem CID 133062570) has the molecular formula C15H22BNO2 and a molecular weight of 259.16 g/mol. Its IUPAC name is 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole.

Molecular Properties

Compound Name1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole
PubChem CID133062570
Molecular FormulaC15H22BNO2
Molecular Weight259.16 g/mol
Exact Mass259.17
IUPAC Name1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole
SMILESCN1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21
InChIInChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-6-8-13-11(12)9-10-17(13)5/h6-8H,9-10H2,1-5H3
InChIKeyNDIWXDZMKUDVGM-UHFFFAOYSA-N
XLogP1.98
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.16
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole?
The IUPAC name of 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole (CID 133062570) is 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole.
What is the SMILES notation for 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole?
The canonical SMILES for 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole is CN1CCc2c(B3OC(C)(C)C(C)(C)O3)cccc21.
What is the InChIKey of 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole?
The InChIKey is NDIWXDZMKUDVGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22BNO2/c1-14(2)15(3,4)19-16(18-14)12-7-6-8-13-11(12)9-10-17(13)5/h6-8H,9-10H2,1-5H3.
What are the key properties of 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole?
1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole has a molecular weight of 259.16 g/mol, XLogP of 1.98, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-2,3-dihydroindole is sourced from PubChem (CID 133062570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).