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

C14H18FNO — CID 113441381

IUPAC5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCCC1(Cc2ccc(F)cc2C)CCC(=O)N1
InChIInChI=1S/C14H18FNO/c1-3-14(7-6-13(17)16-14)9-11-4-5-12(15)8-10(11)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyDARRQOSZIYREQZ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.74
Rot. Bonds3

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

5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 113441381) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID113441381
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one
SMILESCCC1(Cc2ccc(F)cc2C)CCC(=O)N1
InChIInChI=1S/C14H18FNO/c1-3-14(7-6-13(17)16-14)9-11-4-5-12(15)8-10(11)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17)
InChIKeyDARRQOSZIYREQZ-UHFFFAOYSA-N
XLogP2.74
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one (CID 113441381) is 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one is CCC1(Cc2ccc(F)cc2C)CCC(=O)N1.
What is the InChIKey of 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is DARRQOSZIYREQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-14(7-6-13(17)16-14)9-11-4-5-12(15)8-10(11)2/h4-5,8H,3,6-7,9H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one?
5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 235.30 g/mol, XLogP of 2.74, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-5-[(4-fluoro-2-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 113441381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).