6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

C15H17NO2 — CID 21452714

IUPAC6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
SMILESCCc1ccc2[nH]c3c(c2c1)CCC(C(=O)O)C3
InChIInChI=1S/C15H17NO2/c1-2-9-3-6-13-12(7-9)11-5-4-10(15(17)18)8-14(11)16-13/h3,6-7,10,16H,2,4-5,8H2,1H3,(H,17,18)
InChIKeyPDTXOQIGLWUVQV-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.92
Rot. Bonds2

About 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid

6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (PubChem CID 21452714) has the molecular formula C15H17NO2 and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
PubChem CID21452714
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
SMILESCCc1ccc2[nH]c3c(c2c1)CCC(C(=O)O)C3
InChIInChI=1S/C15H17NO2/c1-2-9-3-6-13-12(7-9)11-5-4-10(15(17)18)8-14(11)16-13/h3,6-7,10,16H,2,4-5,8H2,1H3,(H,17,18)
InChIKeyPDTXOQIGLWUVQV-UHFFFAOYSA-N
XLogP2.92
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.92
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-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The IUPAC name of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid (CID 21452714) is 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The canonical SMILES for 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid is CCc1ccc2[nH]c3c(c2c1)CCC(C(=O)O)C3.
What is the InChIKey of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
The InChIKey is PDTXOQIGLWUVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-9-3-6-13-12(7-9)11-5-4-10(15(17)18)8-14(11)16-13/h3,6-7,10,16H,2,4-5,8H2,1H3,(H,17,18).
What are the key properties of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid?
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid is sourced from PubChem (CID 21452714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).