1H-benzo[a]carbazole-3-carboxylic acid

C17H11NO2 — CID 150236426

IUPAC1H-benzo[a]carbazole-3-carboxylic acid
SMILESO=C(O)C1=CCc2c3c(ccc2=C1)=c1ccccc1=N3
InChIInChI=1S/C17H11NO2/c19-17(20)11-6-7-12-10(9-11)5-8-14-13-3-1-2-4-15(13)18-16(12)14/h1-6,8-9H,7H2,(H,19,20)
InChIKeyFWPIZEUIPFVGLG-UHFFFAOYSA-N
MW261.28 g/mol
LogP1.59
Rot. Bonds1

About 1H-benzo[a]carbazole-3-carboxylic acid

1H-benzo[a]carbazole-3-carboxylic acid (PubChem CID 150236426) has the molecular formula C17H11NO2 and a molecular weight of 261.28 g/mol. Its IUPAC name is 1H-benzo[a]carbazole-3-carboxylic acid.

Molecular Properties

Compound Name1H-benzo[a]carbazole-3-carboxylic acid
PubChem CID150236426
Molecular FormulaC17H11NO2
Molecular Weight261.28 g/mol
Exact Mass261.08
IUPAC Name1H-benzo[a]carbazole-3-carboxylic acid
SMILESO=C(O)C1=CCc2c3c(ccc2=C1)=c1ccccc1=N3
InChIInChI=1S/C17H11NO2/c19-17(20)11-6-7-12-10(9-11)5-8-14-13-3-1-2-4-15(13)18-16(12)14/h1-6,8-9H,7H2,(H,19,20)
InChIKeyFWPIZEUIPFVGLG-UHFFFAOYSA-N
XLogP1.59
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1H-benzo[a]carbazole-3-carboxylic acid?
The IUPAC name of 1H-benzo[a]carbazole-3-carboxylic acid (CID 150236426) is 1H-benzo[a]carbazole-3-carboxylic acid.
What is the SMILES notation for 1H-benzo[a]carbazole-3-carboxylic acid?
The canonical SMILES for 1H-benzo[a]carbazole-3-carboxylic acid is O=C(O)C1=CCc2c3c(ccc2=C1)=c1ccccc1=N3.
What is the InChIKey of 1H-benzo[a]carbazole-3-carboxylic acid?
The InChIKey is FWPIZEUIPFVGLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11NO2/c19-17(20)11-6-7-12-10(9-11)5-8-14-13-3-1-2-4-15(13)18-16(12)14/h1-6,8-9H,7H2,(H,19,20).
What are the key properties of 1H-benzo[a]carbazole-3-carboxylic acid?
1H-benzo[a]carbazole-3-carboxylic acid has a molecular weight of 261.28 g/mol, XLogP of 1.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzo[a]carbazole-3-carboxylic acid is sourced from PubChem (CID 150236426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).