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

C15H17NO2 — CID 84630858

IUPAC6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
SMILESCCc1ccc2[nH]c3c(c2c1)C(C(=O)O)CCC3
InChIInChI=1S/C15H17NO2/c1-2-9-6-7-12-11(8-9)14-10(15(17)18)4-3-5-13(14)16-12/h6-8,10,16H,2-5H2,1H3,(H,17,18)
InChIKeyCBELFPOSFJJORG-UHFFFAOYSA-N
MW243.31 g/mol
LogP3.23
Rot. Bonds2

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

6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (PubChem CID 84630858) 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-4-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
PubChem CID84630858
Molecular FormulaC15H17NO2
Molecular Weight243.31 g/mol
Exact Mass243.13
IUPAC Name6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
SMILESCCc1ccc2[nH]c3c(c2c1)C(C(=O)O)CCC3
InChIInChI=1S/C15H17NO2/c1-2-9-6-7-12-11(8-9)14-10(15(17)18)4-3-5-13(14)16-12/h6-8,10,16H,2-5H2,1H3,(H,17,18)
InChIKeyCBELFPOSFJJORG-UHFFFAOYSA-N
XLogP3.23
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 ≤ 53.23
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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Related Compounds

7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83840186
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83835601
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-2-carboxylic acid
CID 21452714
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
5,7-dimethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84630864
ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 23765459
8-methoxy-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84631866
6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 82275010
(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 96678991
6-methoxy-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65332552
6-fluoro-2,3,4,9-tetrahydro-1H-carbazol-4-amine
CID 65333028
(3R,4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 838888

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The IUPAC name of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid (CID 84630858) is 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid.
What is the SMILES notation for 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The canonical SMILES for 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid is CCc1ccc2[nH]c3c(c2c1)C(C(=O)O)CCC3.
What is the InChIKey of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
The InChIKey is CBELFPOSFJJORG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17NO2/c1-2-9-6-7-12-11(8-9)14-10(15(17)18)4-3-5-13(14)16-12/h6-8,10,16H,2-5H2,1H3,(H,17,18).
What are the key properties of 6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid?
6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid has a molecular weight of 243.31 g/mol, XLogP of 3.23, 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-4-carboxylic acid is sourced from PubChem (CID 84630858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).