4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one

C18H22FNO — CID 168685185

IUPAC4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C18H22FNO/c1-2-14-11-17(21)20(12-14)13-18(9-5-6-10-18)15-7-3-4-8-16(15)19/h2-4,7-8,14H,1,5-6,9-13H2
InChIKeyDFAZOEPXFNOUKH-UHFFFAOYSA-N
MW287.38 g/mol
LogP3.67
Rot. Bonds4

About 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one

4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one (PubChem CID 168685185) has the molecular formula C18H22FNO and a molecular weight of 287.38 g/mol. Its IUPAC name is 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one
PubChem CID168685185
Molecular FormulaC18H22FNO
Molecular Weight287.38 g/mol
Exact Mass287.17
IUPAC Name4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one
SMILESC=CC1CC(=O)N(CC2(c3ccccc3F)CCCC2)C1
InChIInChI=1S/C18H22FNO/c1-2-14-11-17(21)20(12-14)13-18(9-5-6-10-18)15-7-3-4-8-16(15)19/h2-4,7-8,14H,1,5-6,9-13H2
InChIKeyDFAZOEPXFNOUKH-UHFFFAOYSA-N
XLogP3.67
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168685186
1-[[1-(2-fluorophenyl)cyclopentyl]methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714779
4-ethenyl-1-[(1-hydroxycyclohexyl)methyl]pyrrolidin-2-one
CID 168685188
4-(chloromethyl)-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168508191
1-[(3-chloro-2-fluorophenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168685468
[1-(2-fluorophenyl)cyclopentyl]methanamine;hydrochloride
CID 74890008
1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one
CID 168685426
4-ethenyl-1-(2-hydroxyethyl)pyrrolidin-2-one
CID 168685259
2-[1-(2-fluorophenyl)cyclohexyl]ethanamine
CID 82080099
4-ethenyl-1-[2-(1H-indol-3-yl)ethyl]pyrrolidin-2-one
CID 168685303
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
1-[1-(bromomethyl)cyclobutyl]-2-fluorobenzene
CID 83693048

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one (CID 168685185) is 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one is C=CC1CC(=O)N(CC2(c3ccccc3F)CCCC2)C1.
What is the InChIKey of 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one?
The InChIKey is DFAZOEPXFNOUKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22FNO/c1-2-14-11-17(21)20(12-14)13-18(9-5-6-10-18)15-7-3-4-8-16(15)19/h2-4,7-8,14H,1,5-6,9-13H2.
What are the key properties of 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one?
4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one has a molecular weight of 287.38 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-[[1-(2-fluorophenyl)cyclopentyl]methyl]pyrrolidin-2-one is sourced from PubChem (CID 168685185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).