sodium 1H-pyrrole-2-carboxylate

C5H4NNaO2 — CID 23665788

IUPACsodium 1H-pyrrole-2-carboxylate
SMILESO=C([O-])c1ccc[nH]1.[Na+]
InChIInChI=1S/C5H5NO2.Na/c7-5(8)4-2-1-3-6-4;/h1-3,6H,(H,7,8);/q;+1/p-1
InChIKeyVOJOXNPTBDGNQO-UHFFFAOYSA-M
MW133.08 g/mol
LogP-3.62
Rot. Bonds1

About sodium 1H-pyrrole-2-carboxylate

sodium 1H-pyrrole-2-carboxylate (PubChem CID 23665788) has the molecular formula C5H4NNaO2 and a molecular weight of 133.08 g/mol. Its IUPAC name is sodium 1H-pyrrole-2-carboxylate.

Molecular Properties

Compound Namesodium 1H-pyrrole-2-carboxylate
PubChem CID23665788
Molecular FormulaC5H4NNaO2
Molecular Weight133.08 g/mol
Exact Mass133.01
IUPAC Namesodium 1H-pyrrole-2-carboxylate
SMILESO=C([O-])c1ccc[nH]1.[Na+]
InChIInChI=1S/C5H5NO2.Na/c7-5(8)4-2-1-3-6-4;/h1-3,6H,(H,7,8);/q;+1/p-1
InChIKeyVOJOXNPTBDGNQO-UHFFFAOYSA-M
XLogP-3.62
TPSA55.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500133.08
LogP ≤ 5-3.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of sodium 1H-pyrrole-2-carboxylate?
The IUPAC name of sodium 1H-pyrrole-2-carboxylate (CID 23665788) is sodium 1H-pyrrole-2-carboxylate.
What is the SMILES notation for sodium 1H-pyrrole-2-carboxylate?
The canonical SMILES for sodium 1H-pyrrole-2-carboxylate is O=C([O-])c1ccc[nH]1.[Na+].
What is the InChIKey of sodium 1H-pyrrole-2-carboxylate?
The InChIKey is VOJOXNPTBDGNQO-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H5NO2.Na/c7-5(8)4-2-1-3-6-4;/h1-3,6H,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 1H-pyrrole-2-carboxylate?
sodium 1H-pyrrole-2-carboxylate has a molecular weight of 133.08 g/mol, XLogP of -3.62, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 1H-pyrrole-2-carboxylate is sourced from PubChem (CID 23665788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).