3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one

C11H13FN2O — CID 121209523

IUPAC3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C(N)CC1c1cccc(F)c1
InChIInChI=1S/C11H13FN2O/c1-14-10(6-9(13)11(14)15)7-3-2-4-8(12)5-7/h2-5,9-10H,6,13H2,1H3
InChIKeyXXHXHWMTBRSUSL-UHFFFAOYSA-N
MW208.24 g/mol
LogP1.06
Rot. Bonds1

About 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one

3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one (PubChem CID 121209523) has the molecular formula C11H13FN2O and a molecular weight of 208.24 g/mol. Its IUPAC name is 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one
PubChem CID121209523
Molecular FormulaC11H13FN2O
Molecular Weight208.24 g/mol
Exact Mass208.10
IUPAC Name3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)C(N)CC1c1cccc(F)c1
InChIInChI=1S/C11H13FN2O/c1-14-10(6-9(13)11(14)15)7-3-2-4-8(12)5-7/h2-5,9-10H,6,13H2,1H3
InChIKeyXXHXHWMTBRSUSL-UHFFFAOYSA-N
XLogP1.06
TPSA46.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.24
LogP ≤ 51.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one (CID 121209523) is 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one is CN1C(=O)C(N)CC1c1cccc(F)c1.
What is the InChIKey of 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one?
The InChIKey is XXHXHWMTBRSUSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13FN2O/c1-14-10(6-9(13)11(14)15)7-3-2-4-8(12)5-7/h2-5,9-10H,6,13H2,1H3.
What are the key properties of 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one?
3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one has a molecular weight of 208.24 g/mol, XLogP of 1.06, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(3-fluorophenyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 121209523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).