6,7-bis(ethenyl)-3H-indole

C12H11N — CID 145123038

IUPAC6,7-bis(ethenyl)-3H-indole
SMILESC=Cc1ccc2c(c1C=C)N=CC2
InChIInChI=1S/C12H11N/c1-3-9-5-6-10-7-8-13-12(10)11(9)4-2/h3-6,8H,1-2,7H2
InChIKeyRNSDRFAFOQAXHG-UHFFFAOYSA-N
MW169.23 g/mol
LogP3.23
Rot. Bonds2

About 6,7-bis(ethenyl)-3H-indole

6,7-bis(ethenyl)-3H-indole (PubChem CID 145123038) has the molecular formula C12H11N and a molecular weight of 169.23 g/mol. Its IUPAC name is 6,7-bis(ethenyl)-3H-indole.

Molecular Properties

Compound Name6,7-bis(ethenyl)-3H-indole
PubChem CID145123038
Molecular FormulaC12H11N
Molecular Weight169.23 g/mol
Exact Mass169.09
IUPAC Name6,7-bis(ethenyl)-3H-indole
SMILESC=Cc1ccc2c(c1C=C)N=CC2
InChIInChI=1S/C12H11N/c1-3-9-5-6-10-7-8-13-12(10)11(9)4-2/h3-6,8H,1-2,7H2
InChIKeyRNSDRFAFOQAXHG-UHFFFAOYSA-N
XLogP3.23
TPSA12.36 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6,7-bis(ethenyl)-3H-indole?
The IUPAC name of 6,7-bis(ethenyl)-3H-indole (CID 145123038) is 6,7-bis(ethenyl)-3H-indole.
What is the SMILES notation for 6,7-bis(ethenyl)-3H-indole?
The canonical SMILES for 6,7-bis(ethenyl)-3H-indole is C=Cc1ccc2c(c1C=C)N=CC2.
What is the InChIKey of 6,7-bis(ethenyl)-3H-indole?
The InChIKey is RNSDRFAFOQAXHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N/c1-3-9-5-6-10-7-8-13-12(10)11(9)4-2/h3-6,8H,1-2,7H2.
What are the key properties of 6,7-bis(ethenyl)-3H-indole?
6,7-bis(ethenyl)-3H-indole has a molecular weight of 169.23 g/mol, XLogP of 3.23, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7-bis(ethenyl)-3H-indole is sourced from PubChem (CID 145123038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).