5-amino-4-cyanofuran-3-carboxylic acid

C6H4N2O3 — CID 156757322

IUPAC5-amino-4-cyanofuran-3-carboxylic acid
SMILESN#Cc1c(C(=O)O)coc1N
InChIInChI=1S/C6H4N2O3/c7-1-3-4(6(9)10)2-11-5(3)8/h2H,8H2,(H,9,10)
InChIKeyPSNIJMZTUFYUJP-UHFFFAOYSA-N
MW152.11 g/mol
LogP0.43
Rot. Bonds1

About 5-amino-4-cyanofuran-3-carboxylic acid

5-amino-4-cyanofuran-3-carboxylic acid (PubChem CID 156757322) has the molecular formula C6H4N2O3 and a molecular weight of 152.11 g/mol. Its IUPAC name is 5-amino-4-cyanofuran-3-carboxylic acid.

Molecular Properties

Compound Name5-amino-4-cyanofuran-3-carboxylic acid
PubChem CID156757322
Molecular FormulaC6H4N2O3
Molecular Weight152.11 g/mol
Exact Mass152.02
IUPAC Name5-amino-4-cyanofuran-3-carboxylic acid
SMILESN#Cc1c(C(=O)O)coc1N
InChIInChI=1S/C6H4N2O3/c7-1-3-4(6(9)10)2-11-5(3)8/h2H,8H2,(H,9,10)
InChIKeyPSNIJMZTUFYUJP-UHFFFAOYSA-N
XLogP0.43
TPSA100.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.11
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-amino-4-cyanofuran-3-carboxylic acid?
The IUPAC name of 5-amino-4-cyanofuran-3-carboxylic acid (CID 156757322) is 5-amino-4-cyanofuran-3-carboxylic acid.
What is the SMILES notation for 5-amino-4-cyanofuran-3-carboxylic acid?
The canonical SMILES for 5-amino-4-cyanofuran-3-carboxylic acid is N#Cc1c(C(=O)O)coc1N.
What is the InChIKey of 5-amino-4-cyanofuran-3-carboxylic acid?
The InChIKey is PSNIJMZTUFYUJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N2O3/c7-1-3-4(6(9)10)2-11-5(3)8/h2H,8H2,(H,9,10).
What are the key properties of 5-amino-4-cyanofuran-3-carboxylic acid?
5-amino-4-cyanofuran-3-carboxylic acid has a molecular weight of 152.11 g/mol, XLogP of 0.43, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-cyanofuran-3-carboxylic acid is sourced from PubChem (CID 156757322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).