5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid

C13H15NO2 — CID 15896268

IUPAC5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1CCCCC1N2
InChIInChI=1S/C13H15NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4H2,(H,15,16)
InChIKeyFEHAELNLZZAEAP-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.84
Rot. Bonds1

About 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid

5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid (PubChem CID 15896268) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
PubChem CID15896268
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)C1CCCCC1N2
InChIInChI=1S/C13H15NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4H2,(H,15,16)
InChIKeyFEHAELNLZZAEAP-UHFFFAOYSA-N
XLogP2.84
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid?
The IUPAC name of 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid (CID 15896268) is 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid.
What is the SMILES notation for 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid?
The canonical SMILES for 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid is O=C(O)c1ccc2c(c1)C1CCCCC1N2.
What is the InChIKey of 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid?
The InChIKey is FEHAELNLZZAEAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,9,11,14H,1-4H2,(H,15,16).
What are the key properties of 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid?
5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6,7,8,8a,9-hexahydro-4bH-carbazole-3-carboxylic acid is sourced from PubChem (CID 15896268), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).