3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one

C14H18FNO — CID 70672854

IUPAC3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one
SMILESCCC1CCN(Cc2ccc(F)c(C)c2)C1=O
InChIInChI=1S/C14H18FNO/c1-3-12-6-7-16(14(12)17)9-11-4-5-13(15)10(2)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyGDNSSZONBCXYJZ-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.89
Rot. Bonds3

About 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one

3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one (PubChem CID 70672854) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one
PubChem CID70672854
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one
SMILESCCC1CCN(Cc2ccc(F)c(C)c2)C1=O
InChIInChI=1S/C14H18FNO/c1-3-12-6-7-16(14(12)17)9-11-4-5-13(15)10(2)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3
InChIKeyGDNSSZONBCXYJZ-UHFFFAOYSA-N
XLogP2.89
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one?
The IUPAC name of 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one (CID 70672854) is 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one.
What is the SMILES notation for 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one?
The canonical SMILES for 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one is CCC1CCN(Cc2ccc(F)c(C)c2)C1=O.
What is the InChIKey of 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one?
The InChIKey is GDNSSZONBCXYJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-12-6-7-16(14(12)17)9-11-4-5-13(15)10(2)8-11/h4-5,8,12H,3,6-7,9H2,1-2H3.
What are the key properties of 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one?
3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one has a molecular weight of 235.30 g/mol, XLogP of 2.89, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-1-[(4-fluoro-3-methylphenyl)methyl]pyrrolidin-2-one is sourced from PubChem (CID 70672854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).