1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one

C11H12FNO2 — CID 70680900

IUPAC1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one
SMILESO=C1CCC(O)N1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4,10,14H,5-7H2
InChIKeyKVNVETGOOZUERV-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.27
Rot. Bonds2

About 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one

1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one (PubChem CID 70680900) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one
PubChem CID70680900
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one
SMILESO=C1CCC(O)N1Cc1ccc(F)cc1
InChIInChI=1S/C11H12FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4,10,14H,5-7H2
InChIKeyKVNVETGOOZUERV-UHFFFAOYSA-N
XLogP1.27
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one (CID 70680900) is 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one is O=C1CCC(O)N1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one?
The InChIKey is KVNVETGOOZUERV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c12-9-3-1-8(2-4-9)7-13-10(14)5-6-11(13)15/h1-4,10,14H,5-7H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one?
1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.27, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-hydroxypyrrolidin-2-one is sourced from PubChem (CID 70680900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).