5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one

C14H18FNO — CID 114834972

IUPAC5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1(C)Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-3-12-14(2,9-13(17)16-12)8-10-5-4-6-11(15)7-10/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyPFZJYFZFYANGPB-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.67
Rot. Bonds3

About 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one

5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one (PubChem CID 114834972) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
PubChem CID114834972
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one
SMILESCCC1NC(=O)CC1(C)Cc1cccc(F)c1
InChIInChI=1S/C14H18FNO/c1-3-12-14(2,9-13(17)16-12)8-10-5-4-6-11(15)7-10/h4-7,12H,3,8-9H2,1-2H3,(H,16,17)
InChIKeyPFZJYFZFYANGPB-UHFFFAOYSA-N
XLogP2.67
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 ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-[(3,4-dimethoxyphenyl)methyl]-5-ethyl-4-methylpyrrolidin-2-one
CID 66106580
5-ethyl-4-methyl-4-(2-phenylethyl)pyrrolidin-2-one
CID 66108510
4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylic acid
CID 114834622
N-[[2-[(3-fluorophenyl)methyl]-2-methylcyclopropyl]methyl]ethanamine
CID 114834482
4-ethyl-2-[(3-fluorophenyl)methyl]-2-methyl-1,3-thiazolidine
CID 114834372
ethyl 4-[(3-fluorophenyl)methyl]-4-methylpyrrolidine-3-carboxylate
CID 114834625
3-ethyl-1-[2-(3-fluorophenyl)ethyl]piperazine-2,5-dione
CID 64960886
3-ethyl-1-[(3-fluorophenyl)methyl]-6,6-dimethylpiperazine-2,5-dione
CID 64902816
4-(3-bromophenyl)-5-ethyl-4-methylpyrrolidin-2-one
CID 66107216
2-[(3-fluorophenyl)methyl]-2,4,4-trimethyl-1,3-thiazolidine
CID 114834375
2-ethyl-2-[(3-fluorophenyl)methyl]azetidine
CID 115058779
6-ethyl-1-[2-(3-fluorophenyl)ethyl]-3-methylpiperazine-2,5-dione
CID 64960897

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one?
The IUPAC name of 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one (CID 114834972) is 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one.
What is the SMILES notation for 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one?
The canonical SMILES for 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one is CCC1NC(=O)CC1(C)Cc1cccc(F)c1.
What is the InChIKey of 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one?
The InChIKey is PFZJYFZFYANGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-3-12-14(2,9-13(17)16-12)8-10-5-4-6-11(15)7-10/h4-7,12H,3,8-9H2,1-2H3,(H,16,17).
What are the key properties of 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one?
5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one has a molecular weight of 235.30 g/mol, XLogP of 2.67, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-[(3-fluorophenyl)methyl]-4-methylpyrrolidin-2-one is sourced from PubChem (CID 114834972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).