1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one

C11H13FN2O — CID 64770768

IUPAC1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESNc1cc(F)ccc1CN1CCCC1=O
InChIInChI=1S/C11H13FN2O/c12-9-4-3-8(10(13)6-9)7-14-5-1-2-11(14)15/h3-4,6H,1-2,5,7,13H2
InChIKeyVSWRNZWMZZMMDE-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.53
Rot. Bonds2

About 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one

1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 64770768) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID64770768
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
SMILESNc1cc(F)ccc1CN1CCCC1=O
InChIInChI=1S/C11H13FN2O/c12-9-4-3-8(10(13)6-9)7-14-5-1-2-11(14)15/h3-4,6H,1-2,5,7,13H2
InChIKeyVSWRNZWMZZMMDE-UHFFFAOYSA-N
XLogP1.53
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one (CID 64770768) is 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one is Nc1cc(F)ccc1CN1CCCC1=O.
What is the InChIKey of 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is VSWRNZWMZZMMDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-4-3-8(10(13)6-9)7-14-5-1-2-11(14)15/h3-4,6H,1-2,5,7,13H2.
What are the key properties of 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one?
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.53, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 64770768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).