5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid

C14H15NO2 — CID 83840191

IUPAC5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
SMILESCc1ccc2c3c([nH]c2c1C)CCC3C(=O)O
InChIInChI=1S/C14H15NO2/c1-7-3-4-9-12-10(14(16)17)5-6-11(12)15-13(9)8(7)2/h3-4,10,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyZJSYKPQGEWPWNK-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.90
Rot. Bonds1

About 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid

5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid (PubChem CID 83840191) has the molecular formula C14H15NO2 and a molecular weight of 229.28 g/mol. Its IUPAC name is 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid.

Molecular Properties

Compound Name5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
PubChem CID83840191
Molecular FormulaC14H15NO2
Molecular Weight229.28 g/mol
Exact Mass229.11
IUPAC Name5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
SMILESCc1ccc2c3c([nH]c2c1C)CCC3C(=O)O
InChIInChI=1S/C14H15NO2/c1-7-3-4-9-12-10(14(16)17)5-6-11(12)15-13(9)8(7)2/h3-4,10,15H,5-6H2,1-2H3,(H,16,17)
InChIKeyZJSYKPQGEWPWNK-UHFFFAOYSA-N
XLogP2.90
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.90
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 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The IUPAC name of 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid (CID 83840191) is 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid.
What is the SMILES notation for 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The canonical SMILES for 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid is Cc1ccc2c3c([nH]c2c1C)CCC3C(=O)O.
What is the InChIKey of 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The InChIKey is ZJSYKPQGEWPWNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15NO2/c1-7-3-4-9-12-10(14(16)17)5-6-11(12)15-13(9)8(7)2/h3-4,10,15H,5-6H2,1-2H3,(H,16,17).
What are the key properties of 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid has a molecular weight of 229.28 g/mol, XLogP of 2.90, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid is sourced from PubChem (CID 83840191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).