cesium 2,3-dihydropyrrole-1-carboxylate

C5H6CsNO2 — CID 142651204

IUPACcesium 2,3-dihydropyrrole-1-carboxylate
SMILESO=C([O-])N1C=CCC1.[Cs+]
InChIInChI=1S/C5H7NO2.Cs/c7-5(8)6-3-1-2-4-6;/h1,3H,2,4H2,(H,7,8);/q;+1/p-1
InChIKeyLQNDOKTTZSZTNF-UHFFFAOYSA-M
MW245.01 g/mol
LogP-3.45
Rot. Bonds

About cesium 2,3-dihydropyrrole-1-carboxylate

cesium 2,3-dihydropyrrole-1-carboxylate (PubChem CID 142651204) has the molecular formula C5H6CsNO2 and a molecular weight of 245.01 g/mol. Its IUPAC name is cesium 2,3-dihydropyrrole-1-carboxylate.

Molecular Properties

Compound Namecesium 2,3-dihydropyrrole-1-carboxylate
PubChem CID142651204
Molecular FormulaC5H6CsNO2
Molecular Weight245.01 g/mol
Exact Mass244.95
IUPAC Namecesium 2,3-dihydropyrrole-1-carboxylate
SMILESO=C([O-])N1C=CCC1.[Cs+]
InChIInChI=1S/C5H7NO2.Cs/c7-5(8)6-3-1-2-4-6;/h1,3H,2,4H2,(H,7,8);/q;+1/p-1
InChIKeyLQNDOKTTZSZTNF-UHFFFAOYSA-M
XLogP-3.45
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.01
LogP ≤ 5-3.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of cesium 2,3-dihydropyrrole-1-carboxylate?
The IUPAC name of cesium 2,3-dihydropyrrole-1-carboxylate (CID 142651204) is cesium 2,3-dihydropyrrole-1-carboxylate.
What is the SMILES notation for cesium 2,3-dihydropyrrole-1-carboxylate?
The canonical SMILES for cesium 2,3-dihydropyrrole-1-carboxylate is O=C([O-])N1C=CCC1.[Cs+].
What is the InChIKey of cesium 2,3-dihydropyrrole-1-carboxylate?
The InChIKey is LQNDOKTTZSZTNF-UHFFFAOYSA-M. The full InChI is InChI=1S/C5H7NO2.Cs/c7-5(8)6-3-1-2-4-6;/h1,3H,2,4H2,(H,7,8);/q;+1/p-1.
What are the key properties of cesium 2,3-dihydropyrrole-1-carboxylate?
cesium 2,3-dihydropyrrole-1-carboxylate has a molecular weight of 245.01 g/mol, XLogP of -3.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for cesium 2,3-dihydropyrrole-1-carboxylate is sourced from PubChem (CID 142651204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).