3-[(E)-3-phenylprop-1-enyl]-1H-indole

C17H15N — CID 89155870

IUPAC3-[(E)-3-phenylprop-1-enyl]-1H-indole
SMILESC(=C/c1c[nH]c2ccccc12)\Cc1ccccc1
InChIInChI=1S/C17H15N/c1-2-7-14(8-3-1)9-6-10-15-13-18-17-12-5-4-11-16(15)17/h1-8,10-13,18H,9H2/b10-6+
InChIKeyBKOFLNGGBOMFJW-UXBLZVDNSA-N
MW233.31 g/mol
LogP4.42
Rot. Bonds3

About 3-[(E)-3-phenylprop-1-enyl]-1H-indole

3-[(E)-3-phenylprop-1-enyl]-1H-indole (PubChem CID 89155870) has the molecular formula C17H15N and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-[(E)-3-phenylprop-1-enyl]-1H-indole.

Molecular Properties

Compound Name3-[(E)-3-phenylprop-1-enyl]-1H-indole
PubChem CID89155870
Molecular FormulaC17H15N
Molecular Weight233.31 g/mol
Exact Mass233.12
IUPAC Name3-[(E)-3-phenylprop-1-enyl]-1H-indole
SMILESC(=C/c1c[nH]c2ccccc12)\Cc1ccccc1
InChIInChI=1S/C17H15N/c1-2-7-14(8-3-1)9-6-10-15-13-18-17-12-5-4-11-16(15)17/h1-8,10-13,18H,9H2/b10-6+
InChIKeyBKOFLNGGBOMFJW-UXBLZVDNSA-N
XLogP4.42
TPSA15.79 Ų
H-Bond Donors1
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-3-phenylprop-1-enyl]-1H-indole?
The IUPAC name of 3-[(E)-3-phenylprop-1-enyl]-1H-indole (CID 89155870) is 3-[(E)-3-phenylprop-1-enyl]-1H-indole.
What is the SMILES notation for 3-[(E)-3-phenylprop-1-enyl]-1H-indole?
The canonical SMILES for 3-[(E)-3-phenylprop-1-enyl]-1H-indole is C(=C/c1c[nH]c2ccccc12)\Cc1ccccc1.
What is the InChIKey of 3-[(E)-3-phenylprop-1-enyl]-1H-indole?
The InChIKey is BKOFLNGGBOMFJW-UXBLZVDNSA-N. The full InChI is InChI=1S/C17H15N/c1-2-7-14(8-3-1)9-6-10-15-13-18-17-12-5-4-11-16(15)17/h1-8,10-13,18H,9H2/b10-6+.
What are the key properties of 3-[(E)-3-phenylprop-1-enyl]-1H-indole?
3-[(E)-3-phenylprop-1-enyl]-1H-indole has a molecular weight of 233.31 g/mol, XLogP of 4.42, 3 rotatable bonds, 1 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-3-phenylprop-1-enyl]-1H-indole is sourced from PubChem (CID 89155870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).