3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one

C9H11F2N3O — CID 122160396

IUPAC3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(F)(F)C2)c1=O
InChIInChI=1S/C9H11F2N3O/c1-13-5-3-12-7(8(13)15)14-4-2-9(10,11)6-14/h3,5H,2,4,6H2,1H3
InChIKeyHQXWUJRSRFCLPC-UHFFFAOYSA-N
MW215.20 g/mol
LogP0.63
Rot. Bonds1

About 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one

3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one (PubChem CID 122160396) has the molecular formula C9H11F2N3O and a molecular weight of 215.20 g/mol. Its IUPAC name is 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one
PubChem CID122160396
Molecular FormulaC9H11F2N3O
Molecular Weight215.20 g/mol
Exact Mass215.09
IUPAC Name3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one
SMILESCn1ccnc(N2CCC(F)(F)C2)c1=O
InChIInChI=1S/C9H11F2N3O/c1-13-5-3-12-7(8(13)15)14-4-2-9(10,11)6-14/h3,5H,2,4,6H2,1H3
InChIKeyHQXWUJRSRFCLPC-UHFFFAOYSA-N
XLogP0.63
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.20
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one?
The IUPAC name of 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one (CID 122160396) is 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one.
What is the SMILES notation for 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one?
The canonical SMILES for 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one is Cn1ccnc(N2CCC(F)(F)C2)c1=O.
What is the InChIKey of 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one?
The InChIKey is HQXWUJRSRFCLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11F2N3O/c1-13-5-3-12-7(8(13)15)14-4-2-9(10,11)6-14/h3,5H,2,4,6H2,1H3.
What are the key properties of 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one?
3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one has a molecular weight of 215.20 g/mol, XLogP of 0.63, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,3-difluoropyrrolidin-1-yl)-1-methylpyrazin-2-one is sourced from PubChem (CID 122160396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).