1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one

C11H13FN2O — CID 63330941

IUPAC1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
SMILESNc1cccc(F)c1CN1CCCC1=O
InChIInChI=1S/C11H13FN2O/c12-9-3-1-4-10(13)8(9)7-14-6-2-5-11(14)15/h1,3-4H,2,5-7,13H2
InChIKeyQTDKTPHWYRXFRJ-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.53
Rot. Bonds2

About 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one

1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one (PubChem CID 63330941) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
PubChem CID63330941
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one
SMILESNc1cccc(F)c1CN1CCCC1=O
InChIInChI=1S/C11H13FN2O/c12-9-3-1-4-10(13)8(9)7-14-6-2-5-11(14)15/h1,3-4H,2,5-7,13H2
InChIKeyQTDKTPHWYRXFRJ-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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Related Compounds

4-[(2-amino-6-fluorophenyl)methyl]morpholin-3-one
CID 79467850
3-amino-2-[(2-oxopyrrolidin-1-yl)methyl]benzonitrile;hydrochloride
CID 70287279
1-[(2-amino-4-fluorophenyl)methyl]pyrrolidin-2-one
CID 64770768
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-1-benzazepin-5-one
CID 114930258
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-7-amine
CID 114930849
1-[(2,6-difluorophenyl)methyl]-2,3-dihydroindol-4-amine
CID 114930494
1-[(3-bromo-2,6-difluorophenyl)methyl]azocan-2-one
CID 106269349
1-[(2,6-difluorophenyl)methyl]-3,4-dihydro-2H-quinolin-6-amine
CID 114930465
1-[(2-amino-6-fluorophenyl)methyl]piperidin-3-ol
CID 63331097
1-[(2,3-difluorophenyl)methyl]pyrrolidin-2-one;methyl acetate
CID 171519932
1-(2-amino-6-fluorophenyl)azepan-2-one
CID 81310287
1-[3-amino-2-(2-fluorophenyl)propyl]pyrrolidin-2-one
CID 105497790

Frequently Asked Questions

What is the IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one (CID 63330941) is 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one is Nc1cccc(F)c1CN1CCCC1=O.
What is the InChIKey of 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one?
The InChIKey is QTDKTPHWYRXFRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c12-9-3-1-4-10(13)8(9)7-14-6-2-5-11(14)15/h1,3-4H,2,5-7,13H2.
What are the key properties of 1-[(2-amino-6-fluorophenyl)methyl]pyrrolidin-2-one?
1-[(2-amino-6-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-6-fluorophenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 63330941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).