6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole

C16H24BNO2 — CID 163856973

IUPAC6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole
SMILESCC1C=Cc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c2C1C
InChIInChI=1S/C16H24BNO2/c1-10-7-8-12-9-13(18-14(12)11(10)2)17-19-15(3,4)16(5,6)20-17/h7-11,18H,1-6H3
InChIKeyOZDGOTABVZZMTC-UHFFFAOYSA-N
MW273.19 g/mol
LogP3.08
Rot. Bonds1

About 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole

6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole (PubChem CID 163856973) has the molecular formula C16H24BNO2 and a molecular weight of 273.19 g/mol. Its IUPAC name is 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole.

Molecular Properties

Compound Name6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole
PubChem CID163856973
Molecular FormulaC16H24BNO2
Molecular Weight273.19 g/mol
Exact Mass273.19
IUPAC Name6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole
SMILESCC1C=Cc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c2C1C
InChIInChI=1S/C16H24BNO2/c1-10-7-8-12-9-13(18-14(12)11(10)2)17-19-15(3,4)16(5,6)20-17/h7-11,18H,1-6H3
InChIKeyOZDGOTABVZZMTC-UHFFFAOYSA-N
XLogP3.08
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.19
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-ethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-5,6-dihydro-1H-pyrrolo[3,4-b]pyrrol-4-one
CID 123983533
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-4,5,6,7-tetrahydro-1H-indole
CID 176793059
4,4,5,5-tetramethyl-2-[2,4,5-tris(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 66897544
2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indol-5-ol
CID 155672392
ethane;(2E,3Z)-3-ethylidene-2-prop-2-enylidene-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-pyrrole
CID 144679658
6-fluoro-7-methyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole
CID 56973262
[3,5-bis(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-trimethylsilane
CID 15543911
4,4,5,5-tetramethyl-2-[2,3,4-trifluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1,3,2-dioxaborolane
CID 56973103
2-[2,4-dimethyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 139189520
2,5-dichloro-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyridine
CID 44755157
2,6-dimethyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1,2-dihydropyridine
CID 155576911
2,2,4,8-tetramethyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-3,4-dihydro-1H-quinolin-3-ol
CID 69468260

Frequently Asked Questions

What is the IUPAC name of 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole?
The IUPAC name of 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole (CID 163856973) is 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole.
What is the SMILES notation for 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole?
The canonical SMILES for 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole is CC1C=Cc2cc(B3OC(C)(C)C(C)(C)O3)[nH]c2C1C.
What is the InChIKey of 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole?
The InChIKey is OZDGOTABVZZMTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BNO2/c1-10-7-8-12-9-13(18-14(12)11(10)2)17-19-15(3,4)16(5,6)20-17/h7-11,18H,1-6H3.
What are the key properties of 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole?
6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole has a molecular weight of 273.19 g/mol, XLogP of 3.08, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-dimethyl-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-6,7-dihydro-1H-indole is sourced from PubChem (CID 163856973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).