3-[(E)-but-1-enyl]-1-phenylindole

C18H17N — CID 10857799

IUPAC3-[(E)-but-1-enyl]-1-phenylindole
SMILESCC/C=C/c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H17N/c1-2-3-9-15-14-19(16-10-5-4-6-11-16)18-13-8-7-12-17(15)18/h3-14H,2H2,1H3/b9-3+
InChIKeyVYZVZYXHMDJBQZ-YCRREMRBSA-N
MW247.34 g/mol
LogP5.05
Rot. Bonds3

About 3-[(E)-but-1-enyl]-1-phenylindole

3-[(E)-but-1-enyl]-1-phenylindole (PubChem CID 10857799) has the molecular formula C18H17N and a molecular weight of 247.34 g/mol. Its IUPAC name is 3-[(E)-but-1-enyl]-1-phenylindole.

Molecular Properties

Compound Name3-[(E)-but-1-enyl]-1-phenylindole
PubChem CID10857799
Molecular FormulaC18H17N
Molecular Weight247.34 g/mol
Exact Mass247.14
IUPAC Name3-[(E)-but-1-enyl]-1-phenylindole
SMILESCC/C=C/c1cn(-c2ccccc2)c2ccccc12
InChIInChI=1S/C18H17N/c1-2-3-9-15-14-19(16-10-5-4-6-11-16)18-13-8-7-12-17(15)18/h3-14H,2H2,1H3/b9-3+
InChIKeyVYZVZYXHMDJBQZ-YCRREMRBSA-N
XLogP5.05
TPSA4.93 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500247.34
LogP ≤ 55.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-but-1-enyl]-1-phenylindole?
The IUPAC name of 3-[(E)-but-1-enyl]-1-phenylindole (CID 10857799) is 3-[(E)-but-1-enyl]-1-phenylindole.
What is the SMILES notation for 3-[(E)-but-1-enyl]-1-phenylindole?
The canonical SMILES for 3-[(E)-but-1-enyl]-1-phenylindole is CC/C=C/c1cn(-c2ccccc2)c2ccccc12.
What is the InChIKey of 3-[(E)-but-1-enyl]-1-phenylindole?
The InChIKey is VYZVZYXHMDJBQZ-YCRREMRBSA-N. The full InChI is InChI=1S/C18H17N/c1-2-3-9-15-14-19(16-10-5-4-6-11-16)18-13-8-7-12-17(15)18/h3-14H,2H2,1H3/b9-3+.
What are the key properties of 3-[(E)-but-1-enyl]-1-phenylindole?
3-[(E)-but-1-enyl]-1-phenylindole has a molecular weight of 247.34 g/mol, XLogP of 5.05, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-but-1-enyl]-1-phenylindole is sourced from PubChem (CID 10857799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).