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

C13H13NO2 — CID 83835601

IUPAC7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
SMILESCc1ccc2[nH]c3c(c2c1)C(C(=O)O)CC3
InChIInChI=1S/C13H13NO2/c1-7-2-4-10-9(6-7)12-8(13(15)16)3-5-11(12)14-10/h2,4,6,8,14H,3,5H2,1H3,(H,15,16)
InChIKeyOIAARVXEMXTZPJ-UHFFFAOYSA-N
MW215.25 g/mol
LogP2.59
Rot. Bonds1

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

7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid (PubChem CID 83835601) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid.

Molecular Properties

Compound Name7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
PubChem CID83835601
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid
SMILESCc1ccc2[nH]c3c(c2c1)C(C(=O)O)CC3
InChIInChI=1S/C13H13NO2/c1-7-2-4-10-9(6-7)12-8(13(15)16)3-5-11(12)14-10/h2,4,6,8,14H,3,5H2,1H3,(H,15,16)
InChIKeyOIAARVXEMXTZPJ-UHFFFAOYSA-N
XLogP2.59
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 ≤ 52.59
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 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The IUPAC name of 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid (CID 83835601) is 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid.
What is the SMILES notation for 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The canonical SMILES for 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid is Cc1ccc2[nH]c3c(c2c1)C(C(=O)O)CC3.
What is the InChIKey of 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
The InChIKey is OIAARVXEMXTZPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13NO2/c1-7-2-4-10-9(6-7)12-8(13(15)16)3-5-11(12)14-10/h2,4,6,8,14H,3,5H2,1H3,(H,15,16).
What are the key properties of 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid?
7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid has a molecular weight of 215.25 g/mol, XLogP of 2.59, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-1,2,3,4-tetrahydrocyclopenta[b]indole-1-carboxylic acid is sourced from PubChem (CID 83835601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).