4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one

C14H16FNO2 — CID 168684186

IUPAC4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(F)cc2OCC)C1
InChIInChI=1S/C14H16FNO2/c1-3-10-7-14(17)16(9-10)12-6-5-11(15)8-13(12)18-4-2/h3,5-6,8,10H,1,4,7,9H2,2H3
InChIKeyIVZGLFRSKXQMQW-UHFFFAOYSA-N
MW249.28 g/mol
LogP2.76
Rot. Bonds4

About 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one

4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one (PubChem CID 168684186) has the molecular formula C14H16FNO2 and a molecular weight of 249.28 g/mol. Its IUPAC name is 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
PubChem CID168684186
Molecular FormulaC14H16FNO2
Molecular Weight249.28 g/mol
Exact Mass249.12
IUPAC Name4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
SMILESC=CC1CC(=O)N(c2ccc(F)cc2OCC)C1
InChIInChI=1S/C14H16FNO2/c1-3-10-7-14(17)16(9-10)12-6-5-11(15)8-13(12)18-4-2/h3,5-6,8,10H,1,4,7,9H2,2H3
InChIKeyIVZGLFRSKXQMQW-UHFFFAOYSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.28
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168659342
1-(2-ethoxy-4-fluorophenyl)-4-hydroxypyrrolidin-2-one
CID 168702045
1-(2-ethoxy-4-fluorophenyl)-4-ethynylpyrrolidin-2-one
CID 168500548
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168684306
methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate
CID 168684357
1-(3-bromo-5-chloro-2-ethoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684182
1-(4-bromo-2-methoxyphenyl)-4-ethenylpyrrolidin-2-one
CID 168684449
4-ethenyl-1-(2-ethyl-4-iodophenyl)pyrrolidin-2-one
CID 168684209
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
ethyl 5-bromo-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684142
4-ethenyl-1-[4-(4-fluorophenyl)phenyl]pyrrolidin-2-one
CID 168685874

Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one (CID 168684186) is 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one is C=CC1CC(=O)N(c2ccc(F)cc2OCC)C1.
What is the InChIKey of 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is IVZGLFRSKXQMQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO2/c1-3-10-7-14(17)16(9-10)12-6-5-11(15)8-13(12)18-4-2/h3,5-6,8,10H,1,4,7,9H2,2H3.
What are the key properties of 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one?
4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 249.28 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 168684186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).