6-amino-2-methyl-1-benzofuran-7-carboxylic acid

C10H9NO3 — CID 163960156

IUPAC6-amino-2-methyl-1-benzofuran-7-carboxylic acid
SMILESCc1cc2ccc(N)c(C(=O)O)c2o1
InChIInChI=1S/C10H9NO3/c1-5-4-6-2-3-7(11)8(10(12)13)9(6)14-5/h2-4H,11H2,1H3,(H,12,13)
InChIKeySGTDBWABVUJVMW-UHFFFAOYSA-N
MW191.19 g/mol
LogP2.02
Rot. Bonds1

About 6-amino-2-methyl-1-benzofuran-7-carboxylic acid

6-amino-2-methyl-1-benzofuran-7-carboxylic acid (PubChem CID 163960156) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 6-amino-2-methyl-1-benzofuran-7-carboxylic acid.

Molecular Properties

Compound Name6-amino-2-methyl-1-benzofuran-7-carboxylic acid
PubChem CID163960156
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name6-amino-2-methyl-1-benzofuran-7-carboxylic acid
SMILESCc1cc2ccc(N)c(C(=O)O)c2o1
InChIInChI=1S/C10H9NO3/c1-5-4-6-2-3-7(11)8(10(12)13)9(6)14-5/h2-4H,11H2,1H3,(H,12,13)
InChIKeySGTDBWABVUJVMW-UHFFFAOYSA-N
XLogP2.02
TPSA76.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 52.02
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 6-amino-2-methyl-1-benzofuran-7-carboxylic acid?
The IUPAC name of 6-amino-2-methyl-1-benzofuran-7-carboxylic acid (CID 163960156) is 6-amino-2-methyl-1-benzofuran-7-carboxylic acid.
What is the SMILES notation for 6-amino-2-methyl-1-benzofuran-7-carboxylic acid?
The canonical SMILES for 6-amino-2-methyl-1-benzofuran-7-carboxylic acid is Cc1cc2ccc(N)c(C(=O)O)c2o1.
What is the InChIKey of 6-amino-2-methyl-1-benzofuran-7-carboxylic acid?
The InChIKey is SGTDBWABVUJVMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c1-5-4-6-2-3-7(11)8(10(12)13)9(6)14-5/h2-4H,11H2,1H3,(H,12,13).
What are the key properties of 6-amino-2-methyl-1-benzofuran-7-carboxylic acid?
6-amino-2-methyl-1-benzofuran-7-carboxylic acid has a molecular weight of 191.19 g/mol, XLogP of 2.02, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-methyl-1-benzofuran-7-carboxylic acid is sourced from PubChem (CID 163960156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).