5-amino-1-methylindole-7-carboxylic acid

C10H10N2O2 — CID 83483770

IUPAC5-amino-1-methylindole-7-carboxylic acid
SMILESCn1ccc2cc(N)cc(C(=O)O)c21
InChIInChI=1S/C10H10N2O2/c1-12-3-2-6-4-7(11)5-8(9(6)12)10(13)14/h2-5H,11H2,1H3,(H,13,14)
InChIKeyDMSGFZOHLXMFDH-UHFFFAOYSA-N
MW190.20 g/mol
LogP1.46
Rot. Bonds1

About 5-amino-1-methylindole-7-carboxylic acid

5-amino-1-methylindole-7-carboxylic acid (PubChem CID 83483770) has the molecular formula C10H10N2O2 and a molecular weight of 190.20 g/mol. Its IUPAC name is 5-amino-1-methylindole-7-carboxylic acid.

Molecular Properties

Compound Name5-amino-1-methylindole-7-carboxylic acid
PubChem CID83483770
Molecular FormulaC10H10N2O2
Molecular Weight190.20 g/mol
Exact Mass190.07
IUPAC Name5-amino-1-methylindole-7-carboxylic acid
SMILESCn1ccc2cc(N)cc(C(=O)O)c21
InChIInChI=1S/C10H10N2O2/c1-12-3-2-6-4-7(11)5-8(9(6)12)10(13)14/h2-5H,11H2,1H3,(H,13,14)
InChIKeyDMSGFZOHLXMFDH-UHFFFAOYSA-N
XLogP1.46
TPSA68.25 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.20
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-1-methylindole-7-carboxylic acid?
The IUPAC name of 5-amino-1-methylindole-7-carboxylic acid (CID 83483770) is 5-amino-1-methylindole-7-carboxylic acid.
What is the SMILES notation for 5-amino-1-methylindole-7-carboxylic acid?
The canonical SMILES for 5-amino-1-methylindole-7-carboxylic acid is Cn1ccc2cc(N)cc(C(=O)O)c21.
What is the InChIKey of 5-amino-1-methylindole-7-carboxylic acid?
The InChIKey is DMSGFZOHLXMFDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N2O2/c1-12-3-2-6-4-7(11)5-8(9(6)12)10(13)14/h2-5H,11H2,1H3,(H,13,14).
What are the key properties of 5-amino-1-methylindole-7-carboxylic acid?
5-amino-1-methylindole-7-carboxylic acid has a molecular weight of 190.20 g/mol, XLogP of 1.46, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-1-methylindole-7-carboxylic acid is sourced from PubChem (CID 83483770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).