6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole

C16H20BNO2 — CID 175224614

IUPAC6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole
SMILESCC1(C)OB(/C=C/c2ccc3cc[nH]c3c2)OC1(C)C
InChIInChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)9-7-12-5-6-13-8-10-18-14(13)11-12/h5-11,18H,1-4H3/b9-7+
InChIKeySMBVMNRVBJPNTP-VQHVLOKHSA-N
MW269.15 g/mol
LogP3.81
Rot. Bonds2

About 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole

6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole (PubChem CID 175224614) has the molecular formula C16H20BNO2 and a molecular weight of 269.15 g/mol. Its IUPAC name is 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole.

Molecular Properties

Compound Name6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole
PubChem CID175224614
Molecular FormulaC16H20BNO2
Molecular Weight269.15 g/mol
Exact Mass269.16
IUPAC Name6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole
SMILESCC1(C)OB(/C=C/c2ccc3cc[nH]c3c2)OC1(C)C
InChIInChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)9-7-12-5-6-13-8-10-18-14(13)11-12/h5-11,18H,1-4H3/b9-7+
InChIKeySMBVMNRVBJPNTP-VQHVLOKHSA-N
XLogP3.81
TPSA34.25 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 53.81
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-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrrolo[3,2-c]pyridine
CID 57416716
2-[(Z)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 102523511
5-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyridin-2-one
CID 74789121
(E)-3-(1H-indol-6-yl)prop-2-enenitrile
CID 131245943
6-[(Z)-2-(3,5-dimethoxyphenyl)ethenyl]-1H-indole
CID 25050334
(S)-1H-indol-6-yl-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)methanamine
CID 171191399
4-[4-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]phenyl]aniline
CID 168897718
1H-indole-6-carbaldehyde;methoxymethane
CID 142993125
(E)-4-(1H-indol-6-yl)-N-methylbut-3-en-1-amine
CID 18388284
4-(1H-indol-6-yl)but-3-en-1-ol
CID 170476703
4-[2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]benzoic acid
CID 175079119
5-[(Z)-2-chloroethenyl]-1H-indole
CID 145444556

Frequently Asked Questions

What is the IUPAC name of 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole?
The IUPAC name of 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole (CID 175224614) is 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole.
What is the SMILES notation for 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole?
The canonical SMILES for 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole is CC1(C)OB(/C=C/c2ccc3cc[nH]c3c2)OC1(C)C.
What is the InChIKey of 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole?
The InChIKey is SMBVMNRVBJPNTP-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H20BNO2/c1-15(2)16(3,4)20-17(19-15)9-7-12-5-6-13-8-10-18-14(13)11-12/h5-11,18H,1-4H3/b9-7+.
What are the key properties of 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole?
6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole has a molecular weight of 269.15 g/mol, XLogP of 3.81, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(E)-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-indole is sourced from PubChem (CID 175224614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).