2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid

C11H11NO3 — CID 83701220

IUPAC2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid
SMILESCc1ccc(-c2ccco2)n1CC(=O)O
InChIInChI=1S/C11H11NO3/c1-8-4-5-9(10-3-2-6-15-10)12(8)7-11(13)14/h2-6H,7H2,1H3,(H,13,14)
InChIKeyAPYSDGIRFBOQQF-UHFFFAOYSA-N
MW205.21 g/mol
LogP2.14
Rot. Bonds3

About 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid

2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid (PubChem CID 83701220) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid.

Molecular Properties

Compound Name2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid
PubChem CID83701220
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid
SMILESCc1ccc(-c2ccco2)n1CC(=O)O
InChIInChI=1S/C11H11NO3/c1-8-4-5-9(10-3-2-6-15-10)12(8)7-11(13)14/h2-6H,7H2,1H3,(H,13,14)
InChIKeyAPYSDGIRFBOQQF-UHFFFAOYSA-N
XLogP2.14
TPSA55.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_C(8)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid?
The IUPAC name of 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid (CID 83701220) is 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid.
What is the SMILES notation for 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid?
The canonical SMILES for 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid is Cc1ccc(-c2ccco2)n1CC(=O)O.
What is the InChIKey of 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid?
The InChIKey is APYSDGIRFBOQQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11NO3/c1-8-4-5-9(10-3-2-6-15-10)12(8)7-11(13)14/h2-6H,7H2,1H3,(H,13,14).
What are the key properties of 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid?
2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid has a molecular weight of 205.21 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(furan-2-yl)-5-methylpyrrol-1-yl]acetic acid is sourced from PubChem (CID 83701220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).