4-methylfuro[3,2-b]indole-2-carboxylic acid

C12H9NO3 — CID 13405807

IUPAC4-methylfuro[3,2-b]indole-2-carboxylic acid
SMILESCn1c2ccccc2c2oc(C(=O)O)cc21
InChIInChI=1S/C12H9NO3/c1-13-8-5-3-2-4-7(8)11-9(13)6-10(16-11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyIRRHKPBXHLNKLI-UHFFFAOYSA-N
MW215.21 g/mol
LogP2.62
Rot. Bonds1

About 4-methylfuro[3,2-b]indole-2-carboxylic acid

4-methylfuro[3,2-b]indole-2-carboxylic acid (PubChem CID 13405807) has the molecular formula C12H9NO3 and a molecular weight of 215.21 g/mol. Its IUPAC name is 4-methylfuro[3,2-b]indole-2-carboxylic acid.

Molecular Properties

Compound Name4-methylfuro[3,2-b]indole-2-carboxylic acid
PubChem CID13405807
Molecular FormulaC12H9NO3
Molecular Weight215.21 g/mol
Exact Mass215.06
IUPAC Name4-methylfuro[3,2-b]indole-2-carboxylic acid
SMILESCn1c2ccccc2c2oc(C(=O)O)cc21
InChIInChI=1S/C12H9NO3/c1-13-8-5-3-2-4-7(8)11-9(13)6-10(16-11)12(14)15/h2-6H,1H3,(H,14,15)
InChIKeyIRRHKPBXHLNKLI-UHFFFAOYSA-N
XLogP2.62
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.21
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methylfuro[3,2-b]indole-2-carboxylic acid?
The IUPAC name of 4-methylfuro[3,2-b]indole-2-carboxylic acid (CID 13405807) is 4-methylfuro[3,2-b]indole-2-carboxylic acid.
What is the SMILES notation for 4-methylfuro[3,2-b]indole-2-carboxylic acid?
The canonical SMILES for 4-methylfuro[3,2-b]indole-2-carboxylic acid is Cn1c2ccccc2c2oc(C(=O)O)cc21.
What is the InChIKey of 4-methylfuro[3,2-b]indole-2-carboxylic acid?
The InChIKey is IRRHKPBXHLNKLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9NO3/c1-13-8-5-3-2-4-7(8)11-9(13)6-10(16-11)12(14)15/h2-6H,1H3,(H,14,15).
What are the key properties of 4-methylfuro[3,2-b]indole-2-carboxylic acid?
4-methylfuro[3,2-b]indole-2-carboxylic acid has a molecular weight of 215.21 g/mol, XLogP of 2.62, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methylfuro[3,2-b]indole-2-carboxylic acid is sourced from PubChem (CID 13405807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).