1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone

C10H14FN3O — CID 68655799

IUPAC1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2C=CNC(F)=C2)C1
InChIInChI=1S/C10H14FN3O/c1-8(15)13-4-2-9(6-13)14-5-3-12-10(11)7-14/h3,5,7,9,12H,2,4,6H2,1H3
InChIKeyRILVAAREBQNTIQ-UHFFFAOYSA-N
MW211.24 g/mol
LogP0.75
Rot. Bonds1

About 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone

1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone (PubChem CID 68655799) has the molecular formula C10H14FN3O and a molecular weight of 211.24 g/mol. Its IUPAC name is 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone
PubChem CID68655799
Molecular FormulaC10H14FN3O
Molecular Weight211.24 g/mol
Exact Mass211.11
IUPAC Name1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(N2C=CNC(F)=C2)C1
InChIInChI=1S/C10H14FN3O/c1-8(15)13-4-2-9(6-13)14-5-3-12-10(11)7-14/h3,5,7,9,12H,2,4,6H2,1H3
InChIKeyRILVAAREBQNTIQ-UHFFFAOYSA-N
XLogP0.75
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.24
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone (CID 68655799) is 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(N2C=CNC(F)=C2)C1.
What is the InChIKey of 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone?
The InChIKey is RILVAAREBQNTIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14FN3O/c1-8(15)13-4-2-9(6-13)14-5-3-12-10(11)7-14/h3,5,7,9,12H,2,4,6H2,1H3.
What are the key properties of 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone?
1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone has a molecular weight of 211.24 g/mol, XLogP of 0.75, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2-fluoro-1H-pyrazin-4-yl)pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 68655799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).