2-(4-fluorophenyl)-1-methylpyrrolidin-3-one

C11H12FNO — CID 83830352

IUPAC2-(4-fluorophenyl)-1-methylpyrrolidin-3-one
SMILESCN1CCC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-13-7-6-10(14)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
InChIKeySSAVZGLSUBIZGU-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.77
Rot. Bonds1

About 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one

2-(4-fluorophenyl)-1-methylpyrrolidin-3-one (PubChem CID 83830352) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-methylpyrrolidin-3-one
PubChem CID83830352
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name2-(4-fluorophenyl)-1-methylpyrrolidin-3-one
SMILESCN1CCC(=O)C1c1ccc(F)cc1
InChIInChI=1S/C11H12FNO/c1-13-7-6-10(14)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3
InChIKeySSAVZGLSUBIZGU-UHFFFAOYSA-N
XLogP1.77
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(4-hydroxyphenyl)-1-methylpiperidin-3-one
CID 105457351
2-[4-(aminomethyl)phenyl]-1-methylpiperidin-3-one
CID 105472763
3-[(4-fluorophenyl)methyl]-1-methylpiperidin-4-one
CID 118991776
6-(4-fluorophenyl)-1-methyl-3,6-dihydro-2H-pyridine-4-carboxylic acid
CID 105496000
5-amino-4-(4-fluorophenyl)-3-methyl-4H-imidazol-2-one
CID 79960327
(5R)-5-(4-fluorophenyl)pyrrolidin-2-one
CID 13293374
3-(4-fluorophenyl)-2-methyl-3H-isoindol-1-one
CID 132524924
[3-(4-fluorophenyl)-1-methylpyrrolidin-2-yl]methanamine
CID 105462010
6-(4-fluorophenyl)-1-methyl-1,3-diazinan-2-one
CID 86649305
(2R,3R)-2-(4-fluorophenyl)-1-methylpyrrolidin-3-amine
CID 124709830
5-(4-fluorophenyl)-1,3-dimethyl-1,3-diazinane-2,4,6-trione
CID 122367157
4-(4-fluorophenyl)-6-hydroxy-1-methylpiperidin-2-one
CID 126669020

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one?
The IUPAC name of 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one (CID 83830352) is 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one.
What is the SMILES notation for 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one?
The canonical SMILES for 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one is CN1CCC(=O)C1c1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one?
The InChIKey is SSAVZGLSUBIZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-13-7-6-10(14)11(13)8-2-4-9(12)5-3-8/h2-5,11H,6-7H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one?
2-(4-fluorophenyl)-1-methylpyrrolidin-3-one has a molecular weight of 193.22 g/mol, XLogP of 1.77, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-methylpyrrolidin-3-one is sourced from PubChem (CID 83830352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).