7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid

C14H15NO2 — CID 83840186

IUPAC7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
SMILESCCc1ccc2[nH]c3c(c2c1)C(C(=O)O)CC3
InChIInChI=1S/C14H15NO2/c1-2-8-3-5-11-10(7-8)13-9(14(16)17)4-6-12(13)15-11/h3,5,7,9,15H,2,4,6H2,1H3,(H,16,17)
InChIKeyAEXNAPXYQNWPOB-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.84
Rot. Bonds2

About 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid

7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid (PubChem CID 83840186) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
PubChem CID83840186
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
SMILESCCc1ccc2[nH]c3c(c2c1)C(C(=O)O)CC3
InChIInChI=1S/C14H15NO2/c1-2-8-3-5-11-10(7-8)13-9(14(16)17)4-6-12(13)15-11/h3,5,7,9,15H,2,4,6H2,1H3,(H,16,17)
InChIKeyAEXNAPXYQNWPOB-UHFFFAOYSA-N
XLogP2.84
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.84
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

6-ethyl-2,3,4,9-tetrahydro-1H-carbazole-4-carboxylic acid
CID 84630858
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
6-ethyl-2,3,4,9-tetrahydro-1H-carbazol-3-amine
CID 82275010
(3R,4R)-4-methyl-2,3,4,9-tetrahydro-1H-carbazole-3-carboxylic acid
CID 838888
2-ethyl-5,6,7,8,9,10-hexahydrocyclohepta[b]quinolin-11-one
CID 63351442
5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
CID 83840191
(5-ethyl-2-methyl-1H-indol-3-yl)-piperidin-4-ylmethanone
CID 96678991
ethyl 5-hydroxy-6,7,8,9-tetrahydro-5H-carbazole-3-carboxylate
CID 23765459
6-methoxy-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole-4-carboxylic acid;hydrochloride
CID 140799634
2-(5-ethyl-1H-indol-2-yl)propanoic acid
CID 83859523
N-cyclohexyl-2-(8-ethyl-10-oxo-1,3,4,5-tetrahydrobenzo[b][1,6]naphthyridin-2-yl)acetamide
CID 53114184

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The IUPAC name of 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid (CID 83840186) is 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid.
What is the SMILES notation for 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The canonical SMILES for 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid is CCc1ccc2[nH]c3c(c2c1)C(C(=O)O)CC3.
What is the InChIKey of 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The InChIKey is AEXNAPXYQNWPOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-2-8-3-5-11-10(7-8)13-9(14(16)17)4-6-12(13)15-11/h3,5,7,9,15H,2,4,6H2,1H3,(H,16,17).
What are the key properties of 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.84, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid is sourced from PubChem (CID 83840186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).