6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

C13H13NO2 — CID 729801

IUPAC6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H13NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2,(H,15,16)
InChIKeyOWQQDAGRTDUORV-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.74
Rot. Bonds1

About 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid

6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (PubChem CID 729801) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.

Molecular Properties

Compound Name6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
PubChem CID729801
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid
SMILESO=C(O)c1ccc2[nH]c3c(c2c1)CCCC3
InChIInChI=1S/C13H13NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2,(H,15,16)
InChIKeyOWQQDAGRTDUORV-UHFFFAOYSA-N
XLogP2.74
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The IUPAC name of 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid (CID 729801) is 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid.
What is the SMILES notation for 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The canonical SMILES for 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid is O=C(O)c1ccc2[nH]c3c(c2c1)CCCC3.
What is the InChIKey of 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
The InChIKey is OWQQDAGRTDUORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c15-13(16)8-5-6-12-10(7-8)9-3-1-2-4-11(9)14-12/h5-7,14H,1-4H2,(H,15,16).
What are the key properties of 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid?
6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.74, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6,7,8,9-tetrahydro-5H-carbazole-3-carboxylic acid is sourced from PubChem (CID 729801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).