6-carbamoyl-1-methylindole-2-carboxylic acid

C11H10N2O3 — CID 66656113

IUPAC6-carbamoyl-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2ccc(C(N)=O)cc21
InChIInChI=1S/C11H10N2O3/c1-13-8-5-7(10(12)14)3-2-6(8)4-9(13)11(15)16/h2-5H,1H3,(H2,12,14)(H,15,16)
InChIKeyZBOGNCLLBVHZIF-UHFFFAOYSA-N
MW218.21 g/mol
LogP0.98
Rot. Bonds2

About 6-carbamoyl-1-methylindole-2-carboxylic acid

6-carbamoyl-1-methylindole-2-carboxylic acid (PubChem CID 66656113) has the molecular formula C11H10N2O3 and a molecular weight of 218.21 g/mol. Its IUPAC name is 6-carbamoyl-1-methylindole-2-carboxylic acid.

Molecular Properties

Compound Name6-carbamoyl-1-methylindole-2-carboxylic acid
PubChem CID66656113
Molecular FormulaC11H10N2O3
Molecular Weight218.21 g/mol
Exact Mass218.07
IUPAC Name6-carbamoyl-1-methylindole-2-carboxylic acid
SMILESCn1c(C(=O)O)cc2ccc(C(N)=O)cc21
InChIInChI=1S/C11H10N2O3/c1-13-8-5-7(10(12)14)3-2-6(8)4-9(13)11(15)16/h2-5H,1H3,(H2,12,14)(H,15,16)
InChIKeyZBOGNCLLBVHZIF-UHFFFAOYSA-N
XLogP0.98
TPSA85.32 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.21
LogP ≤ 50.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-carbamoyl-1-methylindole-2-carboxylic acid?
The IUPAC name of 6-carbamoyl-1-methylindole-2-carboxylic acid (CID 66656113) is 6-carbamoyl-1-methylindole-2-carboxylic acid.
What is the SMILES notation for 6-carbamoyl-1-methylindole-2-carboxylic acid?
The canonical SMILES for 6-carbamoyl-1-methylindole-2-carboxylic acid is Cn1c(C(=O)O)cc2ccc(C(N)=O)cc21.
What is the InChIKey of 6-carbamoyl-1-methylindole-2-carboxylic acid?
The InChIKey is ZBOGNCLLBVHZIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O3/c1-13-8-5-7(10(12)14)3-2-6(8)4-9(13)11(15)16/h2-5H,1H3,(H2,12,14)(H,15,16).
What are the key properties of 6-carbamoyl-1-methylindole-2-carboxylic acid?
6-carbamoyl-1-methylindole-2-carboxylic acid has a molecular weight of 218.21 g/mol, XLogP of 0.98, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-carbamoyl-1-methylindole-2-carboxylic acid is sourced from PubChem (CID 66656113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).