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

C8H4N2O3 — CID 66963304

IUPAC3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESN#Cc1coc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C8H4N2O3/c9-2-4-3-13-6-1-5(8(11)12)10-7(4)6/h1,3,10H,(H,11,12)
InChIKeyKFHSHROQKJEWRI-UHFFFAOYSA-N
MW176.13 g/mol
LogP1.33
Rot. Bonds1

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

3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 66963304) has the molecular formula C8H4N2O3 and a molecular weight of 176.13 g/mol. Its IUPAC name is 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID66963304
Molecular FormulaC8H4N2O3
Molecular Weight176.13 g/mol
Exact Mass176.02
IUPAC Name3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESN#Cc1coc2cc(C(=O)O)[nH]c12
InChIInChI=1S/C8H4N2O3/c9-2-4-3-13-6-1-5(8(11)12)10-7(4)6/h1,3,10H,(H,11,12)
InChIKeyKFHSHROQKJEWRI-UHFFFAOYSA-N
XLogP1.33
TPSA90.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.13
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 66963304) is 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid is N#Cc1coc2cc(C(=O)O)[nH]c12.
What is the InChIKey of 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is KFHSHROQKJEWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4N2O3/c9-2-4-3-13-6-1-5(8(11)12)10-7(4)6/h1,3,10H,(H,11,12).
What are the key properties of 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 176.13 g/mol, XLogP of 1.33, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 66963304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).