5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one

C12H14FNO — CID 104687017

IUPAC5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CC2CCC(=O)N2)cc1F
InChIInChI=1S/C12H14FNO/c1-8-2-3-9(7-11(8)13)6-10-4-5-12(15)14-10/h2-3,7,10H,4-6H2,1H3,(H,14,15)
InChIKeyGPVRVPQGEFKLOX-UHFFFAOYSA-N
MW207.25 g/mol
LogP1.96
Rot. Bonds2

About 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one

5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 104687017) has the molecular formula C12H14FNO and a molecular weight of 207.25 g/mol. Its IUPAC name is 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID104687017
Molecular FormulaC12H14FNO
Molecular Weight207.25 g/mol
Exact Mass207.11
IUPAC Name5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one
SMILESCc1ccc(CC2CCC(=O)N2)cc1F
InChIInChI=1S/C12H14FNO/c1-8-2-3-9(7-11(8)13)6-10-4-5-12(15)14-10/h2-3,7,10H,4-6H2,1H3,(H,14,15)
InChIKeyGPVRVPQGEFKLOX-UHFFFAOYSA-N
XLogP1.96
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.25
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one (CID 104687017) is 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one is Cc1ccc(CC2CCC(=O)N2)cc1F.
What is the InChIKey of 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is GPVRVPQGEFKLOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14FNO/c1-8-2-3-9(7-11(8)13)6-10-4-5-12(15)14-10/h2-3,7,10H,4-6H2,1H3,(H,14,15).
What are the key properties of 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one?
5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 207.25 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-fluoro-4-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 104687017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).