2-(3-tert-butylphenyl)-5-ethenyl-1H-indole

C20H21N — CID 138751764

IUPAC2-(3-tert-butylphenyl)-5-ethenyl-1H-indole
SMILESC=Cc1ccc2[nH]c(-c3cccc(C(C)(C)C)c3)cc2c1
InChIInChI=1S/C20H21N/c1-5-14-9-10-18-16(11-14)13-19(21-18)15-7-6-8-17(12-15)20(2,3)4/h5-13,21H,1H2,2-4H3
InChIKeyFMCDNRDQRXEEJP-UHFFFAOYSA-N
MW275.40 g/mol
LogP5.78
Rot. Bonds2

About 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole

2-(3-tert-butylphenyl)-5-ethenyl-1H-indole (PubChem CID 138751764) has the molecular formula C20H21N and a molecular weight of 275.40 g/mol. Its IUPAC name is 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole.

Molecular Properties

Compound Name2-(3-tert-butylphenyl)-5-ethenyl-1H-indole
PubChem CID138751764
Molecular FormulaC20H21N
Molecular Weight275.40 g/mol
Exact Mass275.17
IUPAC Name2-(3-tert-butylphenyl)-5-ethenyl-1H-indole
SMILESC=Cc1ccc2[nH]c(-c3cccc(C(C)(C)C)c3)cc2c1
InChIInChI=1S/C20H21N/c1-5-14-9-10-18-16(11-14)13-19(21-18)15-7-6-8-17(12-15)20(2,3)4/h5-13,21H,1H2,2-4H3
InChIKeyFMCDNRDQRXEEJP-UHFFFAOYSA-N
XLogP5.78
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500275.40
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole?
The IUPAC name of 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole (CID 138751764) is 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole.
What is the SMILES notation for 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole?
The canonical SMILES for 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole is C=Cc1ccc2[nH]c(-c3cccc(C(C)(C)C)c3)cc2c1.
What is the InChIKey of 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole?
The InChIKey is FMCDNRDQRXEEJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N/c1-5-14-9-10-18-16(11-14)13-19(21-18)15-7-6-8-17(12-15)20(2,3)4/h5-13,21H,1H2,2-4H3.
What are the key properties of 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole?
2-(3-tert-butylphenyl)-5-ethenyl-1H-indole has a molecular weight of 275.40 g/mol, XLogP of 5.78, 2 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-tert-butylphenyl)-5-ethenyl-1H-indole is sourced from PubChem (CID 138751764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).