2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C8H7NO3 — CID 7141883

IUPAC2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2[nH]c(C(=O)O)cc2o1
InChIInChI=1S/C8H7NO3/c1-4-2-5-7(12-4)3-6(9-5)8(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyILLLWINWDFYWES-UHFFFAOYSA-N
MW165.15 g/mol
LogP1.77
Rot. Bonds1

About 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid

2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 7141883) has the molecular formula C8H7NO3 and a molecular weight of 165.15 g/mol. Its IUPAC name is 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID7141883
Molecular FormulaC8H7NO3
Molecular Weight165.15 g/mol
Exact Mass165.04
IUPAC Name2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESCc1cc2[nH]c(C(=O)O)cc2o1
InChIInChI=1S/C8H7NO3/c1-4-2-5-7(12-4)3-6(9-5)8(10)11/h2-3,9H,1H3,(H,10,11)
InChIKeyILLLWINWDFYWES-UHFFFAOYSA-N
XLogP1.77
TPSA66.23 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.15
LogP ≤ 51.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 7141883) is 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is Cc1cc2[nH]c(C(=O)O)cc2o1.
What is the InChIKey of 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is ILLLWINWDFYWES-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO3/c1-4-2-5-7(12-4)3-6(9-5)8(10)11/h2-3,9H,1H3,(H,10,11).
What are the key properties of 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 165.15 g/mol, XLogP of 1.77, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 7141883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).