1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid

C16H15NO3S — CID 120691292

IUPAC1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCc2ccsc2)c2ccccc21
InChIInChI=1S/C16H15NO3S/c18-15(6-5-11-7-8-21-10-11)17-9-13(16(19)20)12-3-1-2-4-14(12)17/h1-4,7-8,10,13H,5-6,9H2,(H,19,20)
InChIKeyRHLZDOBMFOSTEC-UHFFFAOYSA-N
MW301.37 g/mol
LogP2.90
Rot. Bonds4

About 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid

1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid (PubChem CID 120691292) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid.

Molecular Properties

Compound Name1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
PubChem CID120691292
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid
SMILESO=C(O)C1CN(C(=O)CCc2ccsc2)c2ccccc21
InChIInChI=1S/C16H15NO3S/c18-15(6-5-11-7-8-21-10-11)17-9-13(16(19)20)12-3-1-2-4-14(12)17/h1-4,7-8,10,13H,5-6,9H2,(H,19,20)
InChIKeyRHLZDOBMFOSTEC-UHFFFAOYSA-N
XLogP2.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-phenylacetyl)-2,3-dihydroindole-3-carboxylic acid
CID 80563027
(3S)-1-[3-(3-methoxyphenyl)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 124609743
1-[3-[4-(difluoromethoxy)phenyl]propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691751
1-[3-[4-(trifluoromethoxy)phenyl]propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 120691713
1-[3-(methylamino)propanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565144
2-[1-(2-thiophen-3-ylacetyl)-2,3-dihydroindol-3-yl]acetic acid
CID 80572291
1-octanoyl-2,3-dihydroindole-3-carboxylic acid
CID 80564889
1-(3-ethoxypropanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 80564008
1-[4-(methylamino)butanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80565125
1-[3-(2-amino-2-oxoethyl)sulfanylpropanoyl]-2,3-dihydroindole-3-carboxylic acid
CID 80562954
(1R)-2-(3-thiophen-3-ylpropanoyl)-3,4-dihydro-1H-isoquinoline-1-carboxylic acid
CID 97234069
1-(5-aminohexanoyl)-2,3-dihydroindole-3-carboxylic acid
CID 82851509

Frequently Asked Questions

What is the IUPAC name of 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid?
The IUPAC name of 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid (CID 120691292) is 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid.
What is the SMILES notation for 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid?
The canonical SMILES for 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid is O=C(O)C1CN(C(=O)CCc2ccsc2)c2ccccc21.
What is the InChIKey of 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid?
The InChIKey is RHLZDOBMFOSTEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c18-15(6-5-11-7-8-21-10-11)17-9-13(16(19)20)12-3-1-2-4-14(12)17/h1-4,7-8,10,13H,5-6,9H2,(H,19,20).
What are the key properties of 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid?
1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid has a molecular weight of 301.37 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-thiophen-3-ylpropanoyl)-2,3-dihydroindole-3-carboxylic acid is sourced from PubChem (CID 120691292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).