4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one

C12H14FNO — CID 66109341

IUPAC4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one
SMILESCc1ccc(C2CC(=O)NC2C)cc1F
InChIInChI=1S/C12H14FNO/c1-7-3-4-9(5-11(7)13)10-6-12(15)14-8(10)2/h3-5,8,10H,6H2,1-2H3,(H,14,15)
InChIKeyUCWMKZCDDZUGDC-UHFFFAOYSA-N
MW207.25 g/mol
LogP2.13
Rot. Bonds1

About 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one

4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one (PubChem CID 66109341) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one
PubChem CID66109341
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one
SMILESCc1ccc(C2CC(=O)NC2C)cc1F
InChIInChI=1S/C12H14FNO/c1-7-3-4-9(5-11(7)13)10-6-12(15)14-8(10)2/h3-5,8,10H,6H2,1-2H3,(H,14,15)
InChIKeyUCWMKZCDDZUGDC-UHFFFAOYSA-N
XLogP2.13
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(3-chloro-4-fluorophenyl)-5-methylpyrrolidin-2-one
CID 81156956
4-(3,5-difluorophenyl)-5-methylpyrrolidin-2-one
CID 106534465
carbon dioxide;(4R,5S)-5-methyl-4-(4-methylphenyl)pyrrolidin-2-one
CID 157327473
4-(4-methoxyphenyl)-5-methylpyrrolidin-2-one
CID 13427349
5-methyl-4-(4-phenylphenyl)pyrrolidin-2-one
CID 66106755
1-[2-(3-fluoro-4-methylphenyl)cyclopropyl]ethanone
CID 63645174
2-(3-fluoro-4-methylphenyl)cyclopentan-1-ol
CID 2759027
(3S)-3-(3-fluoro-4-methylphenyl)-5-(iodomethyl)pyrrolidin-2-one
CID 141301991
4-cyclopropyl-2-fluoro-1-methylbenzene;ethane
CID 177038852
(2R)-2-(3-fluoro-4-methylphenyl)azetidine
CID 130737796
4-(2-chlorocyclohexyl)-2-fluoro-1-methylbenzene
CID 107129356
4-[3-(methoxymethyl)phenyl]-5-methylpyrrolidin-2-one
CID 66106095

Frequently Asked Questions

What is the IUPAC name of 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one (CID 66109341) is 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one is Cc1ccc(C2CC(=O)NC2C)cc1F.
What is the InChIKey of 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one?
The InChIKey is UCWMKZCDDZUGDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-7-3-4-9(5-11(7)13)10-6-12(15)14-8(10)2/h3-5,8,10H,6H2,1-2H3,(H,14,15).
What are the key properties of 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one?
4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one has a molecular weight of 207.25 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-fluoro-4-methylphenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 66109341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).