1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole

C17H22BNO2 — CID 163953280

IUPAC1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
SMILESCC1(C)OB(c2cn(C3CC3)c3ccccc23)OC1(C)C
InChIInChI=1S/C17H22BNO2/c1-16(2)17(3,4)21-18(20-16)14-11-19(12-9-10-12)15-8-6-5-7-13(14)15/h5-8,11-12H,9-10H2,1-4H3
InChIKeySBELVBJOPTYCPZ-UHFFFAOYSA-N
MW283.18 g/mol
LogP3.28
Rot. Bonds2

About 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole

1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole (PubChem CID 163953280) has the molecular formula C17H22BNO2 and a molecular weight of 283.18 g/mol. Its IUPAC name is 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole.

Molecular Properties

Compound Name1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
PubChem CID163953280
Molecular FormulaC17H22BNO2
Molecular Weight283.18 g/mol
Exact Mass283.17
IUPAC Name1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
SMILESCC1(C)OB(c2cn(C3CC3)c3ccccc23)OC1(C)C
InChIInChI=1S/C17H22BNO2/c1-16(2)17(3,4)21-18(20-16)14-11-19(12-9-10-12)15-8-6-5-7-13(14)15/h5-8,11-12H,9-10H2,1-4H3
InChIKeySBELVBJOPTYCPZ-UHFFFAOYSA-N
XLogP3.28
TPSA23.39 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.18
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(piperidin-1-ylmethyl)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 159493424
1-cyclopropyl-3-methylindole;ethane
CID 145207186
1-cyclopropyl-3-methylsulfanylindole
CID 174184058
1-cyclopropyl-3-phenylsulfanylquinolin-4-one
CID 171745593
1-cyclopropylindole-3-carbonitrile
CID 118990005
1-cyclopropyl-3-(trifluoromethyl)indole
CID 130220200
1-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohex-3-en-1-yl]benzimidazole
CID 163845555
1-cyclobutyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole-3-carbonitrile
CID 141203569
11-phenyl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzo[a]carbazole
CID 90014465
2-(1-cyclopropylindol-3-yl)ethanamine
CID 105453045
1-cyclopentylsulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole
CID 153394928
9-[3-carbazol-9-yl-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)cyclohexa-1,5-dien-1-yl]carbazole
CID 90845040

Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole?
The IUPAC name of 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole (CID 163953280) is 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole.
What is the SMILES notation for 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole?
The canonical SMILES for 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole is CC1(C)OB(c2cn(C3CC3)c3ccccc23)OC1(C)C.
What is the InChIKey of 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole?
The InChIKey is SBELVBJOPTYCPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BNO2/c1-16(2)17(3,4)21-18(20-16)14-11-19(12-9-10-12)15-8-6-5-7-13(14)15/h5-8,11-12H,9-10H2,1-4H3.
What are the key properties of 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole?
1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole has a molecular weight of 283.18 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)indole is sourced from PubChem (CID 163953280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).