6-propan-2-yl-1H-indole-2-carboxylic acid

C12H13NO2 — CID 3873975

IUPAC6-propan-2-yl-1H-indole-2-carboxylic acid
SMILESCC(C)c1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C12H13NO2/c1-7(2)8-3-4-9-6-11(12(14)15)13-10(9)5-8/h3-7,13H,1-2H3,(H,14,15)
InChIKeyDPDMFBGWQRIYBU-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.99
Rot. Bonds2

About 6-propan-2-yl-1H-indole-2-carboxylic acid

6-propan-2-yl-1H-indole-2-carboxylic acid (PubChem CID 3873975) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 6-propan-2-yl-1H-indole-2-carboxylic acid.

Molecular Properties

Compound Name6-propan-2-yl-1H-indole-2-carboxylic acid
PubChem CID3873975
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name6-propan-2-yl-1H-indole-2-carboxylic acid
SMILESCC(C)c1ccc2cc(C(=O)O)[nH]c2c1
InChIInChI=1S/C12H13NO2/c1-7(2)8-3-4-9-6-11(12(14)15)13-10(9)5-8/h3-7,13H,1-2H3,(H,14,15)
InChIKeyDPDMFBGWQRIYBU-UHFFFAOYSA-N
XLogP2.99
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 6-propan-2-yl-1H-indole-2-carboxylic acid?
The IUPAC name of 6-propan-2-yl-1H-indole-2-carboxylic acid (CID 3873975) is 6-propan-2-yl-1H-indole-2-carboxylic acid.
What is the SMILES notation for 6-propan-2-yl-1H-indole-2-carboxylic acid?
The canonical SMILES for 6-propan-2-yl-1H-indole-2-carboxylic acid is CC(C)c1ccc2cc(C(=O)O)[nH]c2c1.
What is the InChIKey of 6-propan-2-yl-1H-indole-2-carboxylic acid?
The InChIKey is DPDMFBGWQRIYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)8-3-4-9-6-11(12(14)15)13-10(9)5-8/h3-7,13H,1-2H3,(H,14,15).
What are the key properties of 6-propan-2-yl-1H-indole-2-carboxylic acid?
6-propan-2-yl-1H-indole-2-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.99, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1H-indole-2-carboxylic acid is sourced from PubChem (CID 3873975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).