2,3-bis(ethenyl)-1-(4-methylphenyl)indole

C19H17N — CID 91187792

IUPAC2,3-bis(ethenyl)-1-(4-methylphenyl)indole
SMILESC=Cc1c(C=C)n(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C19H17N/c1-4-16-17-8-6-7-9-19(17)20(18(16)5-2)15-12-10-14(3)11-13-15/h4-13H,1-2H2,3H3
InChIKeyCEHZHFWIBBRJFI-UHFFFAOYSA-N
MW259.35 g/mol
LogP5.22
Rot. Bonds3

About 2,3-bis(ethenyl)-1-(4-methylphenyl)indole

2,3-bis(ethenyl)-1-(4-methylphenyl)indole (PubChem CID 91187792) has the molecular formula C19H17N and a molecular weight of 259.35 g/mol. Its IUPAC name is 2,3-bis(ethenyl)-1-(4-methylphenyl)indole.

Molecular Properties

Compound Name2,3-bis(ethenyl)-1-(4-methylphenyl)indole
PubChem CID91187792
Molecular FormulaC19H17N
Molecular Weight259.35 g/mol
Exact Mass259.14
IUPAC Name2,3-bis(ethenyl)-1-(4-methylphenyl)indole
SMILESC=Cc1c(C=C)n(-c2ccc(C)cc2)c2ccccc12
InChIInChI=1S/C19H17N/c1-4-16-17-8-6-7-9-19(17)20(18(16)5-2)15-12-10-14(3)11-13-15/h4-13H,1-2H2,3H3
InChIKeyCEHZHFWIBBRJFI-UHFFFAOYSA-N
XLogP5.22
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500259.35
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,3-bis(ethenyl)-1-(4-methylphenyl)indole?
The IUPAC name of 2,3-bis(ethenyl)-1-(4-methylphenyl)indole (CID 91187792) is 2,3-bis(ethenyl)-1-(4-methylphenyl)indole.
What is the SMILES notation for 2,3-bis(ethenyl)-1-(4-methylphenyl)indole?
The canonical SMILES for 2,3-bis(ethenyl)-1-(4-methylphenyl)indole is C=Cc1c(C=C)n(-c2ccc(C)cc2)c2ccccc12.
What is the InChIKey of 2,3-bis(ethenyl)-1-(4-methylphenyl)indole?
The InChIKey is CEHZHFWIBBRJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N/c1-4-16-17-8-6-7-9-19(17)20(18(16)5-2)15-12-10-14(3)11-13-15/h4-13H,1-2H2,3H3.
What are the key properties of 2,3-bis(ethenyl)-1-(4-methylphenyl)indole?
2,3-bis(ethenyl)-1-(4-methylphenyl)indole has a molecular weight of 259.35 g/mol, XLogP of 5.22, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-bis(ethenyl)-1-(4-methylphenyl)indole is sourced from PubChem (CID 91187792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).