1-(2-phenylethenyl)indole-3-carboxylic acid

C17H13NO2 — CID 174661864

IUPAC1-(2-phenylethenyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(C=Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H13NO2/c19-17(20)15-12-18(16-9-5-4-8-14(15)16)11-10-13-6-2-1-3-7-13/h1-12H,(H,19,20)
InChIKeySNCKAVJJGSSSEB-UHFFFAOYSA-N
MW263.30 g/mol
LogP3.97
Rot. Bonds3

About 1-(2-phenylethenyl)indole-3-carboxylic acid

1-(2-phenylethenyl)indole-3-carboxylic acid (PubChem CID 174661864) has the molecular formula C17H13NO2 and a molecular weight of 263.30 g/mol. Its IUPAC name is 1-(2-phenylethenyl)indole-3-carboxylic acid.

Molecular Properties

Compound Name1-(2-phenylethenyl)indole-3-carboxylic acid
PubChem CID174661864
Molecular FormulaC17H13NO2
Molecular Weight263.30 g/mol
Exact Mass263.09
IUPAC Name1-(2-phenylethenyl)indole-3-carboxylic acid
SMILESO=C(O)c1cn(C=Cc2ccccc2)c2ccccc12
InChIInChI=1S/C17H13NO2/c19-17(20)15-12-18(16-9-5-4-8-14(15)16)11-10-13-6-2-1-3-7-13/h1-12H,(H,19,20)
InChIKeySNCKAVJJGSSSEB-UHFFFAOYSA-N
XLogP3.97
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.30
LogP ≤ 53.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethenyl)indole-3-carboxylic acid?
The IUPAC name of 1-(2-phenylethenyl)indole-3-carboxylic acid (CID 174661864) is 1-(2-phenylethenyl)indole-3-carboxylic acid.
What is the SMILES notation for 1-(2-phenylethenyl)indole-3-carboxylic acid?
The canonical SMILES for 1-(2-phenylethenyl)indole-3-carboxylic acid is O=C(O)c1cn(C=Cc2ccccc2)c2ccccc12.
What is the InChIKey of 1-(2-phenylethenyl)indole-3-carboxylic acid?
The InChIKey is SNCKAVJJGSSSEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO2/c19-17(20)15-12-18(16-9-5-4-8-14(15)16)11-10-13-6-2-1-3-7-13/h1-12H,(H,19,20).
What are the key properties of 1-(2-phenylethenyl)indole-3-carboxylic acid?
1-(2-phenylethenyl)indole-3-carboxylic acid has a molecular weight of 263.30 g/mol, XLogP of 3.97, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethenyl)indole-3-carboxylic acid is sourced from PubChem (CID 174661864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).