methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate

C14H14FNO3 — CID 168684357

IUPACmethyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate
SMILESC=CC1CC(=O)N(c2cc(F)ccc2C(=O)OC)C1
InChIInChI=1S/C14H14FNO3/c1-3-9-6-13(17)16(8-9)12-7-10(15)4-5-11(12)14(18)19-2/h3-5,7,9H,1,6,8H2,2H3
InChIKeyOUBIRCONRWUIKB-UHFFFAOYSA-N
MW263.27 g/mol
LogP2.15
Rot. Bonds3

About methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate

methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate (PubChem CID 168684357) has the molecular formula C14H14FNO3 and a molecular weight of 263.27 g/mol. Its IUPAC name is methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate.

Molecular Properties

Compound Namemethyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate
PubChem CID168684357
Molecular FormulaC14H14FNO3
Molecular Weight263.27 g/mol
Exact Mass263.10
IUPAC Namemethyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate
SMILESC=CC1CC(=O)N(c2cc(F)ccc2C(=O)OC)C1
InChIInChI=1S/C14H14FNO3/c1-3-9-6-13(17)16(8-9)12-7-10(15)4-5-11(12)14(18)19-2/h3-5,7,9H,1,6,8H2,2H3
InChIKeyOUBIRCONRWUIKB-UHFFFAOYSA-N
XLogP2.15
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 4-fluoro-2-(4-hydroxy-2-oxopyrrolidin-1-yl)benzoate
CID 168702189
methyl 3-(4-ethenyl-2-oxopyrrolidin-1-yl)-2,6-difluorobenzoate
CID 168684318
4-ethenyl-1-[5-fluoro-2-(methylamino)phenyl]pyrrolidin-2-one
CID 168684306
1-(2-chloro-4-fluorophenyl)-4-ethenylpyrrolidin-2-one
CID 168686018
4-ethenyl-1-(2-ethoxy-4-fluorophenyl)pyrrolidin-2-one
CID 168684186
methyl 3-chloro-2-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684395
methyl 2-[4-(acetylsulfanylmethyl)-2-oxopyrrolidin-1-yl]-5-fluorobenzoate
CID 168666680
N-[2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-methoxyphenyl]acetamide
CID 168684034
4-ethenyl-1-(2,3,4-trifluorophenyl)pyrrolidin-2-one
CID 168685621
methyl 3-chloro-5-(4-ethenyl-2-oxopyrrolidin-1-yl)benzoate
CID 168684387
methyl 2-[4-(azidomethyl)-2-oxopyrrolidin-1-yl]-5-fluorobenzoate
CID 168656279
methyl 2-[4-(bromomethyl)-2-oxopyrrolidin-1-yl]-4,5-difluorobenzoate
CID 168504006

Frequently Asked Questions

What is the IUPAC name of methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate?
The IUPAC name of methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate (CID 168684357) is methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate.
What is the SMILES notation for methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate?
The canonical SMILES for methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate is C=CC1CC(=O)N(c2cc(F)ccc2C(=O)OC)C1.
What is the InChIKey of methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate?
The InChIKey is OUBIRCONRWUIKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO3/c1-3-9-6-13(17)16(8-9)12-7-10(15)4-5-11(12)14(18)19-2/h3-5,7,9H,1,6,8H2,2H3.
What are the key properties of methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate?
methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate has a molecular weight of 263.27 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(4-ethenyl-2-oxopyrrolidin-1-yl)-4-fluorobenzoate is sourced from PubChem (CID 168684357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).