6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid

C13H15NO2 — CID 83946574

IUPAC6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid
SMILESCc1ccc2c(C(C)C)c[nH]c2c1C(=O)O
InChIInChI=1S/C13H15NO2/c1-7(2)10-6-14-12-9(10)5-4-8(3)11(12)13(15)16/h4-7,14H,1-3H3,(H,15,16)
InChIKeyPBGULODRQPUMCI-UHFFFAOYSA-N
MW217.27 g/mol
LogP3.30
Rot. Bonds2

About 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid

6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid (PubChem CID 83946574) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid.

Molecular Properties

Compound Name6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid
PubChem CID83946574
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid
SMILESCc1ccc2c(C(C)C)c[nH]c2c1C(=O)O
InChIInChI=1S/C13H15NO2/c1-7(2)10-6-14-12-9(10)5-4-8(3)11(12)13(15)16/h4-7,14H,1-3H3,(H,15,16)
InChIKeyPBGULODRQPUMCI-UHFFFAOYSA-N
XLogP3.30
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid?
The IUPAC name of 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid (CID 83946574) is 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid.
What is the SMILES notation for 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid?
The canonical SMILES for 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid is Cc1ccc2c(C(C)C)c[nH]c2c1C(=O)O.
What is the InChIKey of 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid?
The InChIKey is PBGULODRQPUMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-7(2)10-6-14-12-9(10)5-4-8(3)11(12)13(15)16/h4-7,14H,1-3H3,(H,15,16).
What are the key properties of 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid?
6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 3.30, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-propan-2-yl-1H-indole-7-carboxylic acid is sourced from PubChem (CID 83946574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).