4-arsanyl-1H-pyrrole-2-carboxylic acid

C5H6AsNO2 — CID 173183216

IUPAC4-arsanyl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc([AsH2])c[nH]1
InChIInChI=1S/C5H6AsNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,6H2,(H,8,9)
InChIKeyXTNRQRNUYZDWPA-UHFFFAOYSA-N
MW187.03 g/mol
LogP-1.03
Rot. Bonds1

About 4-arsanyl-1H-pyrrole-2-carboxylic acid

4-arsanyl-1H-pyrrole-2-carboxylic acid (PubChem CID 173183216) has the molecular formula C5H6AsNO2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 4-arsanyl-1H-pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name4-arsanyl-1H-pyrrole-2-carboxylic acid
PubChem CID173183216
Molecular FormulaC5H6AsNO2
Molecular Weight187.03 g/mol
Exact Mass186.96
IUPAC Name4-arsanyl-1H-pyrrole-2-carboxylic acid
SMILESO=C(O)c1cc([AsH2])c[nH]1
InChIInChI=1S/C5H6AsNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,6H2,(H,8,9)
InChIKeyXTNRQRNUYZDWPA-UHFFFAOYSA-N
XLogP-1.03
TPSA53.09 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 5-1.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-arsanyl-1H-pyrrole-2-carboxylic acid?
The IUPAC name of 4-arsanyl-1H-pyrrole-2-carboxylic acid (CID 173183216) is 4-arsanyl-1H-pyrrole-2-carboxylic acid.
What is the SMILES notation for 4-arsanyl-1H-pyrrole-2-carboxylic acid?
The canonical SMILES for 4-arsanyl-1H-pyrrole-2-carboxylic acid is O=C(O)c1cc([AsH2])c[nH]1.
What is the InChIKey of 4-arsanyl-1H-pyrrole-2-carboxylic acid?
The InChIKey is XTNRQRNUYZDWPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H6AsNO2/c6-3-1-4(5(8)9)7-2-3/h1-2,7H,6H2,(H,8,9).
What are the key properties of 4-arsanyl-1H-pyrrole-2-carboxylic acid?
4-arsanyl-1H-pyrrole-2-carboxylic acid has a molecular weight of 187.03 g/mol, XLogP of -1.03, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-arsanyl-1H-pyrrole-2-carboxylic acid is sourced from PubChem (CID 173183216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).