2-(2,3-dihydroindole-1-carbonyl)benzoic acid

C16H13NO3 — CID 577108

IUPAC2-(2,3-dihydroindole-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H13NO3/c18-15(12-6-2-3-7-13(12)16(19)20)17-10-9-11-5-1-4-8-14(11)17/h1-8H,9-10H2,(H,19,20)
InChIKeyMKCDWVZVPUZDRZ-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.59
Rot. Bonds2

About 2-(2,3-dihydroindole-1-carbonyl)benzoic acid

2-(2,3-dihydroindole-1-carbonyl)benzoic acid (PubChem CID 577108) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(2,3-dihydroindole-1-carbonyl)benzoic acid.

Molecular Properties

Compound Name2-(2,3-dihydroindole-1-carbonyl)benzoic acid
PubChem CID577108
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name2-(2,3-dihydroindole-1-carbonyl)benzoic acid
SMILESO=C(O)c1ccccc1C(=O)N1CCc2ccccc21
InChIInChI=1S/C16H13NO3/c18-15(12-6-2-3-7-13(12)16(19)20)17-10-9-11-5-1-4-8-14(11)17/h1-8H,9-10H2,(H,19,20)
InChIKeyMKCDWVZVPUZDRZ-UHFFFAOYSA-N
XLogP2.59
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)benzoic acid?
The IUPAC name of 2-(2,3-dihydroindole-1-carbonyl)benzoic acid (CID 577108) is 2-(2,3-dihydroindole-1-carbonyl)benzoic acid.
What is the SMILES notation for 2-(2,3-dihydroindole-1-carbonyl)benzoic acid?
The canonical SMILES for 2-(2,3-dihydroindole-1-carbonyl)benzoic acid is O=C(O)c1ccccc1C(=O)N1CCc2ccccc21.
What is the InChIKey of 2-(2,3-dihydroindole-1-carbonyl)benzoic acid?
The InChIKey is MKCDWVZVPUZDRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15(12-6-2-3-7-13(12)16(19)20)17-10-9-11-5-1-4-8-14(11)17/h1-8H,9-10H2,(H,19,20).
What are the key properties of 2-(2,3-dihydroindole-1-carbonyl)benzoic acid?
2-(2,3-dihydroindole-1-carbonyl)benzoic acid has a molecular weight of 267.28 g/mol, XLogP of 2.59, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydroindole-1-carbonyl)benzoic acid is sourced from PubChem (CID 577108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).