4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one

C12H14FNO2 — CID 22677650

IUPAC4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(c2ccccc2F)C1CO
InChIInChI=1S/C12H14FNO2/c1-14-11(7-15)9(6-12(14)16)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7H2,1H3
InChIKeyHBLCAWLMMSXKLM-UHFFFAOYSA-N
MW223.25 g/mol
LogP1.13
Rot. Bonds2

About 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one

4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one (PubChem CID 22677650) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
PubChem CID22677650
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CC(c2ccccc2F)C1CO
InChIInChI=1S/C12H14FNO2/c1-14-11(7-15)9(6-12(14)16)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7H2,1H3
InChIKeyHBLCAWLMMSXKLM-UHFFFAOYSA-N
XLogP1.13
TPSA40.54 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The IUPAC name of 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one (CID 22677650) is 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one.
What is the SMILES notation for 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The canonical SMILES for 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one is CN1C(=O)CC(c2ccccc2F)C1CO.
What is the InChIKey of 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
The InChIKey is HBLCAWLMMSXKLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-14-11(7-15)9(6-12(14)16)8-4-2-3-5-10(8)13/h2-5,9,11,15H,6-7H2,1H3.
What are the key properties of 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one?
4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 1.13, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluorophenyl)-5-(hydroxymethyl)-1-methylpyrrolidin-2-one is sourced from PubChem (CID 22677650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).