3-fluoro-1-methylpyrrolidin-2-one

C5H8FNO — CID 11815845

IUPAC3-fluoro-1-methylpyrrolidin-2-one
SMILESCN1CCC(F)C1=O
InChIInChI=1S/C5H8FNO/c1-7-3-2-4(6)5(7)8/h4H,2-3H2,1H3
InChIKeyMEVMCNKXZSVAIT-UHFFFAOYSA-N
MW117.12 g/mol
LogP0.19
Rot. Bonds

About 3-fluoro-1-methylpyrrolidin-2-one

3-fluoro-1-methylpyrrolidin-2-one (PubChem CID 11815845) has the molecular formula C5H8FNO and a molecular weight of 117.12 g/mol. Its IUPAC name is 3-fluoro-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-fluoro-1-methylpyrrolidin-2-one
PubChem CID11815845
Molecular FormulaC5H8FNO
Molecular Weight117.12 g/mol
Exact Mass117.06
IUPAC Name3-fluoro-1-methylpyrrolidin-2-one
SMILESCN1CCC(F)C1=O
InChIInChI=1S/C5H8FNO/c1-7-3-2-4(6)5(7)8/h4H,2-3H2,1H3
InChIKeyMEVMCNKXZSVAIT-UHFFFAOYSA-N
XLogP0.19
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500117.12
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-fluoro-1-methylpyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-1-methylpyrrolidin-2-one?
The IUPAC name of 3-fluoro-1-methylpyrrolidin-2-one (CID 11815845) is 3-fluoro-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-fluoro-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-fluoro-1-methylpyrrolidin-2-one is CN1CCC(F)C1=O.
What is the InChIKey of 3-fluoro-1-methylpyrrolidin-2-one?
The InChIKey is MEVMCNKXZSVAIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8FNO/c1-7-3-2-4(6)5(7)8/h4H,2-3H2,1H3.
What are the key properties of 3-fluoro-1-methylpyrrolidin-2-one?
3-fluoro-1-methylpyrrolidin-2-one has a molecular weight of 117.12 g/mol, XLogP of 0.19, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-1-methylpyrrolidin-2-one is sourced from PubChem (CID 11815845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).