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

C12H13NO2 — CID 159922488

IUPAC4-propan-2-yl-1H-indole-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc2[nH]ccc12
InChIInChI=1S/C12H13NO2/c1-7(2)10-5-8(12(14)15)6-11-9(10)3-4-13-11/h3-7,13H,1-2H3,(H,14,15)
InChIKeyNYUWZAIHKBXWMC-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.99
Rot. Bonds2

About 4-propan-2-yl-1H-indole-6-carboxylic acid

4-propan-2-yl-1H-indole-6-carboxylic acid (PubChem CID 159922488) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 4-propan-2-yl-1H-indole-6-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-1H-indole-6-carboxylic acid
PubChem CID159922488
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name4-propan-2-yl-1H-indole-6-carboxylic acid
SMILESCC(C)c1cc(C(=O)O)cc2[nH]ccc12
InChIInChI=1S/C12H13NO2/c1-7(2)10-5-8(12(14)15)6-11-9(10)3-4-13-11/h3-7,13H,1-2H3,(H,14,15)
InChIKeyNYUWZAIHKBXWMC-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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Related Compounds

4-iodo-1H-indole-6-carboxylic acid
CID 851587
4-bromo-1H-indole-6-carboxylic acid
CID 24728608
4-propan-2-yl-6-(trifluoromethyl)-1H-indole
CID 58507761
2-oxo-4-propan-2-yl-1H-quinoline-7-carboxylic acid
CID 134357859
4-methoxy-3,5-di(propan-2-yl)benzoic acid
CID 15895030
6-ethyl-4-propan-2-yl-1H-indole
CID 129263187
2-(6-propan-2-yl-1H-indol-4-yl)acetic acid
CID 174727821
ethane;1H-indole-6-carboxylic acid
CID 142472960
3-chloro-4-methoxy-5-propan-2-ylbenzoic acid
CID 117329554
2-[(R)-hydroxy(1H-indol-4-yl)methyl]-6-(methylcarbamoyl)pyridine-4-carboxylic acid
CID 175774650
4-methyl-3-propan-2-ylbenzoic acid
CID 23530580
4-hydroxybenzoic acid;4-hydroxy-3,5-di(propan-2-yl)benzoic acid
CID 159385811

Frequently Asked Questions

What is the IUPAC name of 4-propan-2-yl-1H-indole-6-carboxylic acid?
The IUPAC name of 4-propan-2-yl-1H-indole-6-carboxylic acid (CID 159922488) is 4-propan-2-yl-1H-indole-6-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-1H-indole-6-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-1H-indole-6-carboxylic acid is CC(C)c1cc(C(=O)O)cc2[nH]ccc12.
What is the InChIKey of 4-propan-2-yl-1H-indole-6-carboxylic acid?
The InChIKey is NYUWZAIHKBXWMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-7(2)10-5-8(12(14)15)6-11-9(10)3-4-13-11/h3-7,13H,1-2H3,(H,14,15).
What are the key properties of 4-propan-2-yl-1H-indole-6-carboxylic acid?
4-propan-2-yl-1H-indole-6-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 4-propan-2-yl-1H-indole-6-carboxylic acid is sourced from PubChem (CID 159922488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).