1-(3-fluoropropyl)-3-methylpyrazin-2-one

C8H11FN2O — CID 130571179

IUPAC1-(3-fluoropropyl)-3-methylpyrazin-2-one
SMILESCc1nccn(CCCF)c1=O
InChIInChI=1S/C8H11FN2O/c1-7-8(12)11(5-2-3-9)6-4-10-7/h4,6H,2-3,5H2,1H3
InChIKeyOMBIRWMROBHNFP-UHFFFAOYSA-N
MW170.19 g/mol
LogP0.91
Rot. Bonds3

About 1-(3-fluoropropyl)-3-methylpyrazin-2-one

1-(3-fluoropropyl)-3-methylpyrazin-2-one (PubChem CID 130571179) has the molecular formula C8H11FN2O and a molecular weight of 170.19 g/mol. Its IUPAC name is 1-(3-fluoropropyl)-3-methylpyrazin-2-one.

Molecular Properties

Compound Name1-(3-fluoropropyl)-3-methylpyrazin-2-one
PubChem CID130571179
Molecular FormulaC8H11FN2O
Molecular Weight170.19 g/mol
Exact Mass170.09
IUPAC Name1-(3-fluoropropyl)-3-methylpyrazin-2-one
SMILESCc1nccn(CCCF)c1=O
InChIInChI=1S/C8H11FN2O/c1-7-8(12)11(5-2-3-9)6-4-10-7/h4,6H,2-3,5H2,1H3
InChIKeyOMBIRWMROBHNFP-UHFFFAOYSA-N
XLogP0.91
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoropropyl)-3-methylpyrazin-2-one?
The IUPAC name of 1-(3-fluoropropyl)-3-methylpyrazin-2-one (CID 130571179) is 1-(3-fluoropropyl)-3-methylpyrazin-2-one.
What is the SMILES notation for 1-(3-fluoropropyl)-3-methylpyrazin-2-one?
The canonical SMILES for 1-(3-fluoropropyl)-3-methylpyrazin-2-one is Cc1nccn(CCCF)c1=O.
What is the InChIKey of 1-(3-fluoropropyl)-3-methylpyrazin-2-one?
The InChIKey is OMBIRWMROBHNFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11FN2O/c1-7-8(12)11(5-2-3-9)6-4-10-7/h4,6H,2-3,5H2,1H3.
What are the key properties of 1-(3-fluoropropyl)-3-methylpyrazin-2-one?
1-(3-fluoropropyl)-3-methylpyrazin-2-one has a molecular weight of 170.19 g/mol, XLogP of 0.91, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoropropyl)-3-methylpyrazin-2-one is sourced from PubChem (CID 130571179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).