3-(7-ethenyl-1H-indol-3-yl)propanoic acid

C13H13NO2 — CID 126584246

IUPAC3-(7-ethenyl-1H-indol-3-yl)propanoic acid
SMILESC=Cc1cccc2c(CCC(=O)O)c[nH]c12
InChIInChI=1S/C13H13NO2/c1-2-9-4-3-5-11-10(6-7-12(15)16)8-14-13(9)11/h2-5,8,14H,1,6-7H2,(H,15,16)
InChIKeyFSXUJQCSVVLOIP-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.83
Rot. Bonds4

About 3-(7-ethenyl-1H-indol-3-yl)propanoic acid

3-(7-ethenyl-1H-indol-3-yl)propanoic acid (PubChem CID 126584246) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 3-(7-ethenyl-1H-indol-3-yl)propanoic acid.

Molecular Properties

Compound Name3-(7-ethenyl-1H-indol-3-yl)propanoic acid
PubChem CID126584246
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name3-(7-ethenyl-1H-indol-3-yl)propanoic acid
SMILESC=Cc1cccc2c(CCC(=O)O)c[nH]c12
InChIInChI=1S/C13H13NO2/c1-2-9-4-3-5-11-10(6-7-12(15)16)8-14-13(9)11/h2-5,8,14H,1,6-7H2,(H,15,16)
InChIKeyFSXUJQCSVVLOIP-UHFFFAOYSA-N
XLogP2.83
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

ethane;3-(7-hydroxy-1H-indol-3-yl)propanoic acid
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3-[methyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]propanoic acid
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4-(7-methyl-1H-indol-3-yl)butan-2-one
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(2S)-2-amino-3-(7-formyl-1H-indol-3-yl)propanoic acid
CID 102224703
3-(aminomethyl)-1H-indole-7-carbaldehyde
CID 88961406
5-(2-ethenylphenyl)pentanoic acid
CID 91512730
4-[2-(7-methyl-1H-indol-3-yl)ethylcarbamoylamino]butanoic acid
CID 122003467
acetic acid;ethane;bis(1-ethenylnaphthalene)
CID 91317530
2-(7-methyl-1H-indol-3-yl)ethanamine;oxalic acid
CID 24802312
2-[2-methoxyethyl-[3-(7-methyl-1H-indol-3-yl)propanoyl]amino]acetic acid
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3-[4-(carboxymethyl)naphthalen-1-yl]propanoic acid
CID 118899420

Frequently Asked Questions

What is the IUPAC name of 3-(7-ethenyl-1H-indol-3-yl)propanoic acid?
The IUPAC name of 3-(7-ethenyl-1H-indol-3-yl)propanoic acid (CID 126584246) is 3-(7-ethenyl-1H-indol-3-yl)propanoic acid.
What is the SMILES notation for 3-(7-ethenyl-1H-indol-3-yl)propanoic acid?
The canonical SMILES for 3-(7-ethenyl-1H-indol-3-yl)propanoic acid is C=Cc1cccc2c(CCC(=O)O)c[nH]c12.
What is the InChIKey of 3-(7-ethenyl-1H-indol-3-yl)propanoic acid?
The InChIKey is FSXUJQCSVVLOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-9-4-3-5-11-10(6-7-12(15)16)8-14-13(9)11/h2-5,8,14H,1,6-7H2,(H,15,16).
What are the key properties of 3-(7-ethenyl-1H-indol-3-yl)propanoic acid?
3-(7-ethenyl-1H-indol-3-yl)propanoic acid has a molecular weight of 215.25 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-ethenyl-1H-indol-3-yl)propanoic acid is sourced from PubChem (CID 126584246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).