1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one

C12H15FN2O — CID 154266053

IUPAC1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CCC(=O)N1c1ccc(N)c(F)c1
InChIInChI=1S/C12H15FN2O/c1-12(2)6-5-11(16)15(12)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6,14H2,1-2H3
InChIKeyXRXFSTCLRVMIAH-UHFFFAOYSA-N
MW222.26 g/mol
LogP2.31
Rot. Bonds1

About 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one

1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 154266053) has the molecular formula C12H15FN2O and a molecular weight of 222.26 g/mol. Its IUPAC name is 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID154266053
Molecular FormulaC12H15FN2O
Molecular Weight222.26 g/mol
Exact Mass222.12
IUPAC Name1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCC1(C)CCC(=O)N1c1ccc(N)c(F)c1
InChIInChI=1S/C12H15FN2O/c1-12(2)6-5-11(16)15(12)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6,14H2,1-2H3
InChIKeyXRXFSTCLRVMIAH-UHFFFAOYSA-N
XLogP2.31
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-(4-amino-3-fluorophenyl)-1,2,4-triazolidine-3,5-dione
CID 107409343
3-(4-amino-3-fluorophenyl)-5-(aminomethyl)-1,3-oxazolidin-2-one
CID 77423554
1-[4-(4-amino-3-fluorophenyl)piperazin-1-yl]ethanol
CID 118163026
1'-(4-amino-3-fluorophenyl)spiro[1H-pyrrolo[2,3-b]pyridine-3,4'-piperidine]-2-one
CID 118888513
3-(4-amino-3-fluorophenyl)-5-(nitrosomethyl)-1,3-oxazolidin-2-one
CID 142879110
3-(3-amino-4-fluorophenyl)-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
CID 64853203
1-(3,4-difluorophenyl)-3,3-dimethyl-1,4-diazepane-2,5-dione
CID 64957779
2-fluoro-4-[(3R)-3-methylpiperazin-1-yl]aniline
CID 174945496
4-(4-bromo-3-methylphenyl)-3,3-dimethyl-1,4-diazepan-5-one
CID 117023514
1-(3-amino-4-methylphenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62931387
9-[2-amino-6-(1,1-difluoroethyl)pyrimidin-4-yl]-1-(3,4-difluorophenyl)-1,9-diazaspiro[5.5]undecan-2-one
CID 162778418
1-[3-(aminomethyl)-4-fluorophenyl]-4,4-dimethylpiperidine-2,6-dione
CID 55155376

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one (CID 154266053) is 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one is CC1(C)CCC(=O)N1c1ccc(N)c(F)c1.
What is the InChIKey of 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is XRXFSTCLRVMIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN2O/c1-12(2)6-5-11(16)15(12)8-3-4-10(14)9(13)7-8/h3-4,7H,5-6,14H2,1-2H3.
What are the key properties of 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one?
1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 222.26 g/mol, XLogP of 2.31, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 154266053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).