7-ethyl-3-methyl-1H-indole-5-carboxylic acid

C12H13NO2 — CID 83946499

IUPAC7-ethyl-3-methyl-1H-indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(C)c[nH]c12
InChIInChI=1S/C12H13NO2/c1-3-8-4-9(12(14)15)5-10-7(2)6-13-11(8)10/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyWRCXYOWVQJZFFD-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.74
Rot. Bonds2

About 7-ethyl-3-methyl-1H-indole-5-carboxylic acid

7-ethyl-3-methyl-1H-indole-5-carboxylic acid (PubChem CID 83946499) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 7-ethyl-3-methyl-1H-indole-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-3-methyl-1H-indole-5-carboxylic acid
PubChem CID83946499
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name7-ethyl-3-methyl-1H-indole-5-carboxylic acid
SMILESCCc1cc(C(=O)O)cc2c(C)c[nH]c12
InChIInChI=1S/C12H13NO2/c1-3-8-4-9(12(14)15)5-10-7(2)6-13-11(8)10/h4-6,13H,3H2,1-2H3,(H,14,15)
InChIKeyWRCXYOWVQJZFFD-UHFFFAOYSA-N
XLogP2.74
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 ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

7-ethyl-3-formyl-1H-indole-5-carboxylic acid
CID 83948058
7-ethyl-3-methyl-1H-indole
CID 13271010
3-ethyl-5-methyl-4-(trifluoromethylsulfonyloxy)benzoic acid
CID 86639880
4-methyl-1-oxo-2H-isoquinoline-7-carboxylic acid
CID 115063547
3-ethyl-1H-indole-5-carboxylic acid
CID 70338709
ethyl 2-(7-fluoro-3-methyl-1H-indol-5-yl)-2-oxoacetate
CID 117375415
3-(3-methyl-1H-indol-7-yl)propanoic acid
CID 66917746
1-(3-methyl-1H-indol-7-yl)propan-2-one
CID 117205247
3-(2-hydroxyethyl)-4,5-dimethylbenzoic acid
CID 117284500
3-(7-fluoro-3-methyl-1H-indol-5-yl)-2,2-dimethylpropanoic acid
CID 117375903
3,4-dimethyl-5-(3-oxopropyl)benzoic acid
CID 117294638
3-(2-carboxyethyl)-4,5-dimethylbenzoic acid
CID 117317911

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-3-methyl-1H-indole-5-carboxylic acid?
The IUPAC name of 7-ethyl-3-methyl-1H-indole-5-carboxylic acid (CID 83946499) is 7-ethyl-3-methyl-1H-indole-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-3-methyl-1H-indole-5-carboxylic acid?
The canonical SMILES for 7-ethyl-3-methyl-1H-indole-5-carboxylic acid is CCc1cc(C(=O)O)cc2c(C)c[nH]c12.
What is the InChIKey of 7-ethyl-3-methyl-1H-indole-5-carboxylic acid?
The InChIKey is WRCXYOWVQJZFFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-8-4-9(12(14)15)5-10-7(2)6-13-11(8)10/h4-6,13H,3H2,1-2H3,(H,14,15).
What are the key properties of 7-ethyl-3-methyl-1H-indole-5-carboxylic acid?
7-ethyl-3-methyl-1H-indole-5-carboxylic acid has a molecular weight of 203.24 g/mol, XLogP of 2.74, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-3-methyl-1H-indole-5-carboxylic acid is sourced from PubChem (CID 83946499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).