1-ethyl-7-propan-2-ylindole-2-carboxylic acid

C14H17NO2 — CID 105489529

IUPAC1-ethyl-7-propan-2-ylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2cccc(C(C)C)c21
InChIInChI=1S/C14H17NO2/c1-4-15-12(14(16)17)8-10-6-5-7-11(9(2)3)13(10)15/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyGMAGGNWMEOCHDP-UHFFFAOYSA-N
MW231.29 g/mol
LogP3.48
Rot. Bonds3

About 1-ethyl-7-propan-2-ylindole-2-carboxylic acid

1-ethyl-7-propan-2-ylindole-2-carboxylic acid (PubChem CID 105489529) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is 1-ethyl-7-propan-2-ylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-7-propan-2-ylindole-2-carboxylic acid
PubChem CID105489529
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name1-ethyl-7-propan-2-ylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2cccc(C(C)C)c21
InChIInChI=1S/C14H17NO2/c1-4-15-12(14(16)17)8-10-6-5-7-11(9(2)3)13(10)15/h5-9H,4H2,1-3H3,(H,16,17)
InChIKeyGMAGGNWMEOCHDP-UHFFFAOYSA-N
XLogP3.48
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

7-propan-2-yl-1-(pyrimidin-2-ylmethyl)indole-2-carboxylic acid
CID 159080426
1-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-7-propan-2-ylindole-2-carboxylic acid
CID 159007236
1-ethyl-6,7-dimethylindole-2-carboxylic acid
CID 105470979
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
CID 142207725
7-ethyl-1-methylindole-2-carboxylic acid
CID 131582394
1-(2-methylpentyl)-7-propan-2-yl-2-prop-1-en-2-ylindole
CID 170125427
1-methyl-4-oxo-8-propan-2-ylquinoline-2-carboxylic acid
CID 82244120
1-ethyl-4-oxo-8-propan-2-yloxyquinoline-2-carboxylic acid
CID 82248172
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
2-amino-2-(1-ethyl-7-hydroxyindol-2-yl)acetic acid
CID 115072472

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-7-propan-2-ylindole-2-carboxylic acid?
The IUPAC name of 1-ethyl-7-propan-2-ylindole-2-carboxylic acid (CID 105489529) is 1-ethyl-7-propan-2-ylindole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-7-propan-2-ylindole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-7-propan-2-ylindole-2-carboxylic acid is CCn1c(C(=O)O)cc2cccc(C(C)C)c21.
What is the InChIKey of 1-ethyl-7-propan-2-ylindole-2-carboxylic acid?
The InChIKey is GMAGGNWMEOCHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-4-15-12(14(16)17)8-10-6-5-7-11(9(2)3)13(10)15/h5-9H,4H2,1-3H3,(H,16,17).
What are the key properties of 1-ethyl-7-propan-2-ylindole-2-carboxylic acid?
1-ethyl-7-propan-2-ylindole-2-carboxylic acid has a molecular weight of 231.29 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-7-propan-2-ylindole-2-carboxylic acid is sourced from PubChem (CID 105489529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).