4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one

C14H18FNO — CID 114873166

IUPAC4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCCC1(c2cccc(F)c2)CC(=O)NC1(C)C
InChIInChI=1S/C14H18FNO/c1-4-14(9-12(17)16-13(14,2)3)10-6-5-7-11(15)8-10/h5-8H,4,9H2,1-3H3,(H,16,17)
InChIKeyHRMCIJRAIGHKFN-UHFFFAOYSA-N
MW235.30 g/mol
LogP2.77
Rot. Bonds2

About 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one

4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one (PubChem CID 114873166) has the molecular formula C14H18FNO and a molecular weight of 235.30 g/mol. Its IUPAC name is 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one.

Molecular Properties

Compound Name4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
PubChem CID114873166
Molecular FormulaC14H18FNO
Molecular Weight235.30 g/mol
Exact Mass235.14
IUPAC Name4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one
SMILESCCC1(c2cccc(F)c2)CC(=O)NC1(C)C
InChIInChI=1S/C14H18FNO/c1-4-14(9-12(17)16-13(14,2)3)10-6-5-7-11(15)8-10/h5-8H,4,9H2,1-3H3,(H,16,17)
InChIKeyHRMCIJRAIGHKFN-UHFFFAOYSA-N
XLogP2.77
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.30
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one?
The IUPAC name of 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one (CID 114873166) is 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one.
What is the SMILES notation for 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one?
The canonical SMILES for 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one is CCC1(c2cccc(F)c2)CC(=O)NC1(C)C.
What is the InChIKey of 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one?
The InChIKey is HRMCIJRAIGHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO/c1-4-14(9-12(17)16-13(14,2)3)10-6-5-7-11(15)8-10/h5-8H,4,9H2,1-3H3,(H,16,17).
What are the key properties of 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one?
4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one has a molecular weight of 235.30 g/mol, XLogP of 2.77, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-4-(3-fluorophenyl)-5,5-dimethylpyrrolidin-2-one is sourced from PubChem (CID 114873166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).