5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid

C13H13NO2 — CID 19384554

IUPAC5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid
SMILESO=C(O)C1=C2N=C3CCCCC3=C2CC=C1
InChIInChI=1S/C13H13NO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,6H,1-2,4-5,7H2,(H,15,16)
InChIKeyZUMNXLPVEUYGHG-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.61
Rot. Bonds1

About 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid

5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid (PubChem CID 19384554) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid
PubChem CID19384554
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid
SMILESO=C(O)C1=C2N=C3CCCCC3=C2CC=C1
InChIInChI=1S/C13H13NO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,6H,1-2,4-5,7H2,(H,15,16)
InChIKeyZUMNXLPVEUYGHG-UHFFFAOYSA-N
XLogP2.61
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-bromo-3-fluoro-5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid
CID 140823290
2H-carbazole-3-carboxylic acid
CID 18428423
5H-carbazole-3-carboxylic acid
CID 87263105
Cyclopenta[b]indole-3-carboxylic acid
CID 87931561
(2E)-2-[(2,4-dimethyl-3H-pyrrol-5-yl)methylidene]but-3-enoic acid
CID 88914430
1,2,3,4-Tetrahydrocyclopenta[c]carbazole-9-carboxylic acid
CID 144788734
1H-benzo[a]carbazole-3-carboxylic acid
CID 150236426
2H-carbazole-1-carboxylic acid
CID 153982870
1H-pyrido[4,3-b]indole-4-carboxylic acid
CID 162467623
4a,4b,5,6,7,8-hexahydro-4H-carbazole-1-carboxylic acid
CID 174907207

Frequently Asked Questions

What is the IUPAC name of 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid?
The IUPAC name of 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid (CID 19384554) is 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid.
What is the SMILES notation for 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid?
The canonical SMILES for 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid is O=C(O)C1=C2N=C3CCCCC3=C2CC=C1.
What is the InChIKey of 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid?
The InChIKey is ZUMNXLPVEUYGHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(16)10-6-3-5-9-8-4-1-2-7-11(8)14-12(9)10/h3,6H,1-2,4-5,7H2,(H,15,16).
What are the key properties of 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid?
5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8-tetrahydro-4H-carbazole-1-carboxylic acid is sourced from PubChem (CID 19384554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).