3-ethenyl-1H-indole

C10H9N — CID 14532445

IUPAC3-ethenyl-1H-indole
SMILESC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H9N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-7,11H,1H2
InChIKeyYAMMUQMONCMYCX-UHFFFAOYSA-N
MW143.19 g/mol
LogP2.81
Rot. Bonds1

About 3-ethenyl-1H-indole

3-ethenyl-1H-indole (PubChem CID 14532445) has the molecular formula C10H9N and a molecular weight of 143.19 g/mol. Its IUPAC name is 3-ethenyl-1H-indole.

Molecular Properties

Compound Name3-ethenyl-1H-indole
PubChem CID14532445
Molecular FormulaC10H9N
Molecular Weight143.19 g/mol
Exact Mass143.07
IUPAC Name3-ethenyl-1H-indole
SMILESC=Cc1c[nH]c2ccccc12
InChIInChI=1S/C10H9N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-7,11H,1H2
InChIKeyYAMMUQMONCMYCX-UHFFFAOYSA-N
XLogP2.81
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500143.19
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethenyl-1H-indole?
The IUPAC name of 3-ethenyl-1H-indole (CID 14532445) is 3-ethenyl-1H-indole.
What is the SMILES notation for 3-ethenyl-1H-indole?
The canonical SMILES for 3-ethenyl-1H-indole is C=Cc1c[nH]c2ccccc12.
What is the InChIKey of 3-ethenyl-1H-indole?
The InChIKey is YAMMUQMONCMYCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N/c1-2-8-7-11-10-6-4-3-5-9(8)10/h2-7,11H,1H2.
What are the key properties of 3-ethenyl-1H-indole?
3-ethenyl-1H-indole has a molecular weight of 143.19 g/mol, XLogP of 2.81, 1 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenyl-1H-indole is sourced from PubChem (CID 14532445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).