fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate

C10H11FN4O3 — CID 68726680

IUPACfluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1cnccn1)C1CCCN1C(=O)OF
InChIInChI=1S/C10H11FN4O3/c11-18-10(17)15-5-1-2-7(15)9(16)14-8-6-12-3-4-13-8/h3-4,6-7H,1-2,5H2,(H,13,14,16)
InChIKeyGDDLEEHGBXNYEI-UHFFFAOYSA-N
MW254.22 g/mol
LogP0.90
Rot. Bonds2

About fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate

fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate (PubChem CID 68726680) has the molecular formula C10H11FN4O3 and a molecular weight of 254.22 g/mol. Its IUPAC name is fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate.

Molecular Properties

Compound Namefluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
PubChem CID68726680
Molecular FormulaC10H11FN4O3
Molecular Weight254.22 g/mol
Exact Mass254.08
IUPAC Namefluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate
SMILESO=C(Nc1cnccn1)C1CCCN1C(=O)OF
InChIInChI=1S/C10H11FN4O3/c11-18-10(17)15-5-1-2-7(15)9(16)14-8-6-12-3-4-13-8/h3-4,6-7H,1-2,5H2,(H,13,14,16)
InChIKeyGDDLEEHGBXNYEI-UHFFFAOYSA-N
XLogP0.90
TPSA84.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.22
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The IUPAC name of fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate (CID 68726680) is fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate.
What is the SMILES notation for fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The canonical SMILES for fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate is O=C(Nc1cnccn1)C1CCCN1C(=O)OF.
What is the InChIKey of fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
The InChIKey is GDDLEEHGBXNYEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN4O3/c11-18-10(17)15-5-1-2-7(15)9(16)14-8-6-12-3-4-13-8/h3-4,6-7H,1-2,5H2,(H,13,14,16).
What are the key properties of fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate?
fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate has a molecular weight of 254.22 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for fluoro 2-(pyrazin-2-ylcarbamoyl)pyrrolidine-1-carboxylate is sourced from PubChem (CID 68726680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).