1-ethyl-6,7-dimethylindole-2-carboxylic acid

C13H15NO2 — CID 105470979

IUPAC1-ethyl-6,7-dimethylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2ccc(C)c(C)c21
InChIInChI=1S/C13H15NO2/c1-4-14-11(13(15)16)7-10-6-5-8(2)9(3)12(10)14/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyZAWZDTMGJZUBQL-UHFFFAOYSA-N
MW217.27 g/mol
LogP2.98
Rot. Bonds2

About 1-ethyl-6,7-dimethylindole-2-carboxylic acid

1-ethyl-6,7-dimethylindole-2-carboxylic acid (PubChem CID 105470979) has the molecular formula C13H15NO2 and a molecular weight of 217.27 g/mol. Its IUPAC name is 1-ethyl-6,7-dimethylindole-2-carboxylic acid.

Molecular Properties

Compound Name1-ethyl-6,7-dimethylindole-2-carboxylic acid
PubChem CID105470979
Molecular FormulaC13H15NO2
Molecular Weight217.27 g/mol
Exact Mass217.11
IUPAC Name1-ethyl-6,7-dimethylindole-2-carboxylic acid
SMILESCCn1c(C(=O)O)cc2ccc(C)c(C)c21
InChIInChI=1S/C13H15NO2/c1-4-14-11(13(15)16)7-10-6-5-8(2)9(3)12(10)14/h5-7H,4H2,1-3H3,(H,15,16)
InChIKeyZAWZDTMGJZUBQL-UHFFFAOYSA-N
XLogP2.98
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-ethyl-7-propan-2-ylindole-2-carboxylic acid
CID 105489529
1-ethyl-4-methylindole-2-carboxylic acid
CID 53408213
2-chloro-1-ethyl-6,7-dimethylindole-3-carboxylic acid
CID 82268967
1,5-diethylindole-2-carboxylic acid;ethane
CID 142207795
5-ethoxy-1-ethylindole-2-carboxylic acid
CID 69018922
ethane;1-ethyl-5-propan-2-ylindole-2-carboxylic acid
CID 142207725
7-chloro-1-propylindole-2-carboxylic acid
CID 83968460
1-benzyl-5,7-dimethylindole-2-carboxylic acid
CID 83968494
1-[(8-methylnaphthalen-2-yl)methyl]indole-2-carboxylic acid
CID 23582813
2-(4,5-dimethyl-2-oxo-1,3-benzoxazol-3-yl)acetic acid
CID 69095676
1-[(3-fluorophenyl)methyl]-7-methylindole-2-carboxylic acid
CID 83968451
propanoic acid;1,2,3,4-tetramethylbenzene
CID 23621081

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-6,7-dimethylindole-2-carboxylic acid?
The IUPAC name of 1-ethyl-6,7-dimethylindole-2-carboxylic acid (CID 105470979) is 1-ethyl-6,7-dimethylindole-2-carboxylic acid.
What is the SMILES notation for 1-ethyl-6,7-dimethylindole-2-carboxylic acid?
The canonical SMILES for 1-ethyl-6,7-dimethylindole-2-carboxylic acid is CCn1c(C(=O)O)cc2ccc(C)c(C)c21.
What is the InChIKey of 1-ethyl-6,7-dimethylindole-2-carboxylic acid?
The InChIKey is ZAWZDTMGJZUBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15NO2/c1-4-14-11(13(15)16)7-10-6-5-8(2)9(3)12(10)14/h5-7H,4H2,1-3H3,(H,15,16).
What are the key properties of 1-ethyl-6,7-dimethylindole-2-carboxylic acid?
1-ethyl-6,7-dimethylindole-2-carboxylic acid has a molecular weight of 217.27 g/mol, XLogP of 2.98, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-6,7-dimethylindole-2-carboxylic acid is sourced from PubChem (CID 105470979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).