1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid

C16H11NO2 — CID 70201800

IUPAC1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid
SMILESO=C(O)C1=C2C(=Nc3ccccc32)C2=C1CCC=C2
InChIInChI=1S/C16H11NO2/c18-16(19)14-9-5-1-2-6-10(9)15-13(14)11-7-3-4-8-12(11)17-15/h2-4,6-8H,1,5H2,(H,18,19)
InChIKeyFVRSQFSJOSZFFL-UHFFFAOYSA-N
MW249.27 g/mol
LogP3.27
Rot. Bonds1

About 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid

1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid (PubChem CID 70201800) has the molecular formula C16H11NO2 and a molecular weight of 249.27 g/mol. Its IUPAC name is 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid.

Molecular Properties

Compound Name1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid
PubChem CID70201800
Molecular FormulaC16H11NO2
Molecular Weight249.27 g/mol
Exact Mass249.08
IUPAC Name1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid
SMILESO=C(O)C1=C2C(=Nc3ccccc32)C2=C1CCC=C2
InChIInChI=1S/C16H11NO2/c18-16(19)14-9-5-1-2-6-10(9)15-13(14)11-7-3-4-8-12(11)17-15/h2-4,6-8H,1,5H2,(H,18,19)
InChIKeyFVRSQFSJOSZFFL-UHFFFAOYSA-N
XLogP3.27
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.27
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid?
The IUPAC name of 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid (CID 70201800) is 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid.
What is the SMILES notation for 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid?
The canonical SMILES for 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid is O=C(O)C1=C2C(=Nc3ccccc32)C2=C1CCC=C2.
What is the InChIKey of 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid?
The InChIKey is FVRSQFSJOSZFFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO2/c18-16(19)14-9-5-1-2-6-10(9)15-13(14)11-7-3-4-8-12(11)17-15/h2-4,6-8H,1,5H2,(H,18,19).
What are the key properties of 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid?
1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid has a molecular weight of 249.27 g/mol, XLogP of 3.27, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydroindeno[1,2-b]indole-10-carboxylic acid is sourced from PubChem (CID 70201800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).