3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid

C8H7NO4 — CID 44576687

IUPAC3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2occ(CO)c2[nH]1
InChIInChI=1S/C8H7NO4/c10-2-4-3-13-6-1-5(8(11)12)9-7(4)6/h1,3,9-10H,2H2,(H,11,12)
InChIKeyKUYFPJWLZXCSOC-UHFFFAOYSA-N
MW181.15 g/mol
LogP0.95
Rot. Bonds2

About 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid

3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid (PubChem CID 44576687) has the molecular formula C8H7NO4 and a molecular weight of 181.15 g/mol. Its IUPAC name is 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid.

Molecular Properties

Compound Name3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
PubChem CID44576687
Molecular FormulaC8H7NO4
Molecular Weight181.15 g/mol
Exact Mass181.04
IUPAC Name3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid
SMILESO=C(O)c1cc2occ(CO)c2[nH]1
InChIInChI=1S/C8H7NO4/c10-2-4-3-13-6-1-5(8(11)12)9-7(4)6/h1,3,9-10H,2H2,(H,11,12)
InChIKeyKUYFPJWLZXCSOC-UHFFFAOYSA-N
XLogP0.95
TPSA86.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.15
LogP ≤ 50.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The IUPAC name of 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid (CID 44576687) is 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid.
What is the SMILES notation for 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The canonical SMILES for 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid is O=C(O)c1cc2occ(CO)c2[nH]1.
What is the InChIKey of 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
The InChIKey is KUYFPJWLZXCSOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7NO4/c10-2-4-3-13-6-1-5(8(11)12)9-7(4)6/h1,3,9-10H,2H2,(H,11,12).
What are the key properties of 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid?
3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid has a molecular weight of 181.15 g/mol, XLogP of 0.95, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(hydroxymethyl)-4H-furo[3,2-b]pyrrole-5-carboxylic acid is sourced from PubChem (CID 44576687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).