1-benzyl-5-ethenylindole

C17H15N — CID 71373149

IUPAC1-benzyl-5-ethenylindole
SMILESC=Cc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C17H15N/c1-2-14-8-9-17-16(12-14)10-11-18(17)13-15-6-4-3-5-7-15/h2-12H,1,13H2
InChIKeyUPFCAOVZOHEFLF-UHFFFAOYSA-N
MW233.31 g/mol
LogP4.33
Rot. Bonds3

About 1-benzyl-5-ethenylindole

1-benzyl-5-ethenylindole (PubChem CID 71373149) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 1-benzyl-5-ethenylindole.

Molecular Properties

Compound Name1-benzyl-5-ethenylindole
PubChem CID71373149
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name1-benzyl-5-ethenylindole
SMILESC=Cc1ccc2c(ccn2Cc2ccccc2)c1
InChIInChI=1S/C17H15N/c1-2-14-8-9-17-16(12-14)10-11-18(17)13-15-6-4-3-5-7-15/h2-12H,1,13H2
InChIKeyUPFCAOVZOHEFLF-UHFFFAOYSA-N
XLogP4.33
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-ethenylindole?
The IUPAC name of 1-benzyl-5-ethenylindole (CID 71373149) is 1-benzyl-5-ethenylindole.
What is the SMILES notation for 1-benzyl-5-ethenylindole?
The canonical SMILES for 1-benzyl-5-ethenylindole is C=Cc1ccc2c(ccn2Cc2ccccc2)c1.
What is the InChIKey of 1-benzyl-5-ethenylindole?
The InChIKey is UPFCAOVZOHEFLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N/c1-2-14-8-9-17-16(12-14)10-11-18(17)13-15-6-4-3-5-7-15/h2-12H,1,13H2.
What are the key properties of 1-benzyl-5-ethenylindole?
1-benzyl-5-ethenylindole has a molecular weight of 233.31 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-ethenylindole is sourced from PubChem (CID 71373149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).