3-fluoro-4-methylpyrrolidin-2-one

C5H8FNO — CID 130186888

IUPAC3-fluoro-4-methylpyrrolidin-2-one
SMILESCC1CNC(=O)C1F
InChIInChI=1S/C5H8FNO/c1-3-2-7-5(8)4(3)6/h3-4H,2H2,1H3,(H,7,8)
InChIKeyOZLNYRVKVOUMIG-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.09
Rot. Bonds

About 3-fluoro-4-methylpyrrolidin-2-one

3-fluoro-4-methylpyrrolidin-2-one (PubChem CID 130186888) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 3-fluoro-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-4-methylpyrrolidin-2-one
PubChem CID130186888
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name3-fluoro-4-methylpyrrolidin-2-one
SMILESCC1CNC(=O)C1F
InChIInChI=1S/C5H8FNO/c1-3-2-7-5(8)4(3)6/h3-4H,2H2,1H3,(H,7,8)
InChIKeyOZLNYRVKVOUMIG-UHFFFAOYSA-N
XLogP0.09
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-methylpyrrolidin-2-one?
The IUPAC name of 3-fluoro-4-methylpyrrolidin-2-one (CID 130186888) is 3-fluoro-4-methylpyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-4-methylpyrrolidin-2-one?
The canonical SMILES for 3-fluoro-4-methylpyrrolidin-2-one is CC1CNC(=O)C1F.
What is the InChIKey of 3-fluoro-4-methylpyrrolidin-2-one?
The InChIKey is OZLNYRVKVOUMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-3-2-7-5(8)4(3)6/h3-4H,2H2,1H3,(H,7,8).
What are the key properties of 3-fluoro-4-methylpyrrolidin-2-one?
3-fluoro-4-methylpyrrolidin-2-one has a molecular weight of 117.12 g/mol, XLogP of 0.09, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-methylpyrrolidin-2-one is sourced from PubChem (CID 130186888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).