1-benzoyl-2,3-dihydroindole-2-carboxylic acid

C16H13NO3 — CID 12842041

IUPAC1-benzoyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C16H13NO3/c18-15(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-14(17)16(19)20/h1-9,14H,10H2,(H,19,20)
InChIKeyHPAKCFAOSIGBHE-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.34
Rot. Bonds2

About 1-benzoyl-2,3-dihydroindole-2-carboxylic acid

1-benzoyl-2,3-dihydroindole-2-carboxylic acid (PubChem CID 12842041) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 1-benzoyl-2,3-dihydroindole-2-carboxylic acid.

Molecular Properties

Compound Name1-benzoyl-2,3-dihydroindole-2-carboxylic acid
PubChem CID12842041
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name1-benzoyl-2,3-dihydroindole-2-carboxylic acid
SMILESO=C(O)C1Cc2ccccc2N1C(=O)c1ccccc1
InChIInChI=1S/C16H13NO3/c18-15(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-14(17)16(19)20/h1-9,14H,10H2,(H,19,20)
InChIKeyHPAKCFAOSIGBHE-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-benzoyl-2,3-dihydroindole-2-carboxylic acid?
The IUPAC name of 1-benzoyl-2,3-dihydroindole-2-carboxylic acid (CID 12842041) is 1-benzoyl-2,3-dihydroindole-2-carboxylic acid.
What is the SMILES notation for 1-benzoyl-2,3-dihydroindole-2-carboxylic acid?
The canonical SMILES for 1-benzoyl-2,3-dihydroindole-2-carboxylic acid is O=C(O)C1Cc2ccccc2N1C(=O)c1ccccc1.
What is the InChIKey of 1-benzoyl-2,3-dihydroindole-2-carboxylic acid?
The InChIKey is HPAKCFAOSIGBHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15(11-6-2-1-3-7-11)17-13-9-5-4-8-12(13)10-14(17)16(19)20/h1-9,14H,10H2,(H,19,20).
What are the key properties of 1-benzoyl-2,3-dihydroindole-2-carboxylic acid?
1-benzoyl-2,3-dihydroindole-2-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.34, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzoyl-2,3-dihydroindole-2-carboxylic acid is sourced from PubChem (CID 12842041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).