6-propan-2-yl-3H-indole-3-carboxylic acid

C12H13NO2 — CID 146504501

IUPAC6-propan-2-yl-3H-indole-3-carboxylic acid
SMILESCC(C)c1ccc2c(c1)N=CC2C(=O)O
InChIInChI=1S/C12H13NO2/c1-7(2)8-3-4-9-10(12(14)15)6-13-11(9)5-8/h3-7,10H,1-2H3,(H,14,15)
InChIKeyMCHBOGDBXLZNBM-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.69
Rot. Bonds2

About 6-propan-2-yl-3H-indole-3-carboxylic acid

6-propan-2-yl-3H-indole-3-carboxylic acid (PubChem CID 146504501) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-propan-2-yl-3H-indole-3-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-3H-indole-3-carboxylic acid
PubChem CID146504501
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-propan-2-yl-3H-indole-3-carboxylic acid
SMILESCC(C)c1ccc2c(c1)N=CC2C(=O)O
InChIInChI=1S/C12H13NO2/c1-7(2)8-3-4-9-10(12(14)15)6-13-11(9)5-8/h3-7,10H,1-2H3,(H,14,15)
InChIKeyMCHBOGDBXLZNBM-UHFFFAOYSA-N
XLogP2.69
TPSA49.66 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-3H-indole-3-carboxylic acid?
The IUPAC name of 6-propan-2-yl-3H-indole-3-carboxylic acid (CID 146504501) is 6-propan-2-yl-3H-indole-3-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-3H-indole-3-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-3H-indole-3-carboxylic acid is CC(C)c1ccc2c(c1)N=CC2C(=O)O.
What is the InChIKey of 6-propan-2-yl-3H-indole-3-carboxylic acid?
The InChIKey is MCHBOGDBXLZNBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)8-3-4-9-10(12(14)15)6-13-11(9)5-8/h3-7,10H,1-2H3,(H,14,15).
What are the key properties of 6-propan-2-yl-3H-indole-3-carboxylic acid?
6-propan-2-yl-3H-indole-3-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-3H-indole-3-carboxylic acid is sourced from PubChem (CID 146504501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).