4-methylfuro[3,2-b]pyrrole-5-carboxylic acid

C8H7NO3 — CID 7164641

IUPAC4-methylfuro[3,2-b]pyrrole-5-carboxylic acid
SMILESCn1c(C(=O)O)cc2occc21
InChIInChI=1S/C8H7NO3/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyITEWRYWRNQCNHT-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.47
Rot. Bonds1

About 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid

4-methylfuro[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 7164641) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name4-methylfuro[3,2-b]pyrrole-5-carboxylic acid
PubChem CID7164641
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name4-methylfuro[3,2-b]pyrrole-5-carboxylic acid
SMILESCn1c(C(=O)O)cc2occc21
InChIInChI=1S/C8H7NO3/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11)
InChIKeyITEWRYWRNQCNHT-UHFFFAOYSA-N
XLogP1.47
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.47
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]pyrrole-5-carboxylic acid?
The IUPAC name of 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid (CID 7164641) is 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid is Cn1c(C(=O)O)cc2occc21.
What is the InChIKey of 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is ITEWRYWRNQCNHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-9-5-2-3-12-7(5)4-6(9)8(10)11/h2-4H,1H3,(H,10,11).
What are the key properties of 4-methylfuro[3,2-b]pyrrole-5-carboxylic acid?
4-methylfuro[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 165.15 g/mol, XLogP of 1.47, 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]pyrrole-5-carboxylic acid is sourced from PubChem (CID 7164641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).