1-(5-amino-2-fluorophenyl)pyrrolidin-2-one

C10H11FN2O — CID 16771885

IUPAC1-(5-amino-2-fluorophenyl)pyrrolidin-2-one
SMILESNc1ccc(F)c(N2CCCC2=O)c1
InChIInChI=1S/C10H11FN2O/c11-8-4-3-7(12)6-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5,12H2
InChIKeyCMESHIWWYRXULU-UHFFFAOYSA-N
MW194.21 g/mol
LogP1.53
Rot. Bonds1

About 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one

1-(5-amino-2-fluorophenyl)pyrrolidin-2-one (PubChem CID 16771885) has the molecular formula C10H11FN2O and a molecular weight of 194.21 g/mol. Its IUPAC name is 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(5-amino-2-fluorophenyl)pyrrolidin-2-one
PubChem CID16771885
Molecular FormulaC10H11FN2O
Molecular Weight194.21 g/mol
Exact Mass194.09
IUPAC Name1-(5-amino-2-fluorophenyl)pyrrolidin-2-one
SMILESNc1ccc(F)c(N2CCCC2=O)c1
InChIInChI=1S/C10H11FN2O/c11-8-4-3-7(12)6-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5,12H2
InChIKeyCMESHIWWYRXULU-UHFFFAOYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.21
LogP ≤ 51.53
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

5-amino-2-(2-oxopyrrolidin-1-yl)benzonitrile
CID 53418340
3-(azetidin-1-yl)-4-fluoroaniline
CID 131275166
1-[2-fluoro-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]pyrrolidin-2-one
CID 75486864
1-(2-fluoro-4-iodophenyl)pyrrolidin-2-one
CID 142682975
1-(2-fluoro-4-methylphenyl)pyrrolidin-2-one
CID 58845272
1-(4-amino-2-methylphenyl)piperidin-2-one;ethane
CID 142825432
1-(5-amino-2,3-dimethylphenyl)pyrrolidin-2-one
CID 13062320
5-amino-2-(2-oxopiperidin-1-yl)benzoic acid
CID 63116213
3-fluoro-4-(2-oxopyrrolidin-1-yl)benzaldehyde
CID 4165533
1-[4-fluoro-3-(4-methylpiperazin-1-yl)phenyl]pyrrolidin-2-one
CID 53358224
1-(2-fluoro-4-propan-2-ylphenyl)pyrrolidin-2-one
CID 118084663
1-(5-amino-2-fluorophenyl)-4,4-dimethylpiperidine-2,6-dione
CID 62930708

Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one (CID 16771885) is 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one is Nc1ccc(F)c(N2CCCC2=O)c1.
What is the InChIKey of 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one?
The InChIKey is CMESHIWWYRXULU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11FN2O/c11-8-4-3-7(12)6-9(8)13-5-1-2-10(13)14/h3-4,6H,1-2,5,12H2.
What are the key properties of 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one?
1-(5-amino-2-fluorophenyl)pyrrolidin-2-one has a molecular weight of 194.21 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-2-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 16771885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).