sodium 2,3-dihydro-1H-pyrrole-5-carboxylate

C5H6NNaO2 — CID 67364228

IUPACsodium 2,3-dihydro-1H-pyrrole-5-carboxylate
SMILESO=C([O-])C1=CCCN1.[Na+]
InChIInChI=1S/C5H7NO2.Na/c7-5(8)4-2-1-3-6-4;/h2,6H,1,3H2,(H,7,8);/q;+1/p-1
InChIKeyABCSUPMUQBJNCD-UHFFFAOYSA-M
MW135.10 g/mol
LogP-4.38
Rot. Bonds1

About sodium 2,3-dihydro-1H-pyrrole-5-carboxylate

sodium 2,3-dihydro-1H-pyrrole-5-carboxylate (PubChem CID 67364228) has the molecular formula C5H6NNaO2 and a molecular weight of 135.10 g/mol. Its IUPAC name is sodium 2,3-dihydro-1H-pyrrole-5-carboxylate.

Molecular Properties

Compound Namesodium 2,3-dihydro-1H-pyrrole-5-carboxylate
PubChem CID67364228
Molecular FormulaC5H6NNaO2
Molecular Weight135.10 g/mol
Exact Mass135.03
IUPAC Namesodium 2,3-dihydro-1H-pyrrole-5-carboxylate
SMILESO=C([O-])C1=CCCN1.[Na+]
InChIInChI=1S/C5H7NO2.Na/c7-5(8)4-2-1-3-6-4;/h2,6H,1,3H2,(H,7,8);/q;+1/p-1
InChIKeyABCSUPMUQBJNCD-UHFFFAOYSA-M
XLogP-4.38
TPSA52.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500135.10
LogP ≤ 5-4.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of sodium 2,3-dihydro-1H-pyrrole-5-carboxylate?
The IUPAC name of sodium 2,3-dihydro-1H-pyrrole-5-carboxylate (CID 67364228) is sodium 2,3-dihydro-1H-pyrrole-5-carboxylate.
What is the SMILES notation for sodium 2,3-dihydro-1H-pyrrole-5-carboxylate?
The canonical SMILES for sodium 2,3-dihydro-1H-pyrrole-5-carboxylate is O=C([O-])C1=CCCN1.[Na+].
What is the InChIKey of sodium 2,3-dihydro-1H-pyrrole-5-carboxylate?
The InChIKey is ABCSUPMUQBJNCD-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO2.Na/c7-5(8)4-2-1-3-6-4;/h2,6H,1,3H2,(H,7,8);/q;+1/p-1.
What are the key properties of sodium 2,3-dihydro-1H-pyrrole-5-carboxylate?
sodium 2,3-dihydro-1H-pyrrole-5-carboxylate has a molecular weight of 135.10 g/mol, XLogP of -4.38, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for sodium 2,3-dihydro-1H-pyrrole-5-carboxylate is sourced from PubChem (CID 67364228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).