1,3,4,5,6,7-hexamethylindole-2-carboxylic acid

C15H19NO2 — CID 18735240

IUPAC1,3,4,5,6,7-hexamethylindole-2-carboxylic acid
SMILESCc1c(C)c(C)c2c(c1C)c(C)c(C(=O)O)n2C
InChIInChI=1S/C15H19NO2/c1-7-8(2)10(4)13-12(9(7)3)11(5)14(15(17)18)16(13)6/h1-6H3,(H,17,18)
InChIKeyLCJXUVNTMGPKDZ-UHFFFAOYSA-N
MW245.32 g/mol
LogP3.42
Rot. Bonds1

About 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid

1,3,4,5,6,7-hexamethylindole-2-carboxylic acid (PubChem CID 18735240) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid.

Molecular Properties

Compound Name1,3,4,5,6,7-hexamethylindole-2-carboxylic acid
PubChem CID18735240
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name1,3,4,5,6,7-hexamethylindole-2-carboxylic acid
SMILESCc1c(C)c(C)c2c(c1C)c(C)c(C(=O)O)n2C
InChIInChI=1S/C15H19NO2/c1-7-8(2)10(4)13-12(9(7)3)11(5)14(15(17)18)16(13)6/h1-6H3,(H,17,18)
InChIKeyLCJXUVNTMGPKDZ-UHFFFAOYSA-N
XLogP3.42
TPSA42.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid?
The IUPAC name of 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid (CID 18735240) is 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid.
What is the SMILES notation for 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid?
The canonical SMILES for 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid is Cc1c(C)c(C)c2c(c1C)c(C)c(C(=O)O)n2C.
What is the InChIKey of 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid?
The InChIKey is LCJXUVNTMGPKDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c1-7-8(2)10(4)13-12(9(7)3)11(5)14(15(17)18)16(13)6/h1-6H3,(H,17,18).
What are the key properties of 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid?
1,3,4,5,6,7-hexamethylindole-2-carboxylic acid has a molecular weight of 245.32 g/mol, XLogP of 3.42, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3,4,5,6,7-hexamethylindole-2-carboxylic acid is sourced from PubChem (CID 18735240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).