1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one

C14H15F2NO2 — CID 168685426

IUPAC1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C14H15F2NO2/c1-2-10-7-13(18)17(8-10)9-11-5-3-4-6-12(11)19-14(15)16/h2-6,10,14H,1,7-9H2
InChIKeyBEQZGVCGDXZPDD-UHFFFAOYSA-N
MW267.27 g/mol
LogP2.82
Rot. Bonds5

About 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one

1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one (PubChem CID 168685426) has the molecular formula C14H15F2NO2 and a molecular weight of 267.27 g/mol. Its IUPAC name is 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one.

Molecular Properties

Compound Name1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one
PubChem CID168685426
Molecular FormulaC14H15F2NO2
Molecular Weight267.27 g/mol
Exact Mass267.11
IUPAC Name1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one
SMILESC=CC1CC(=O)N(Cc2ccccc2OC(F)F)C1
InChIInChI=1S/C14H15F2NO2/c1-2-10-7-13(18)17(8-10)9-11-5-3-4-6-12(11)19-14(15)16/h2-6,10,14H,1,7-9H2
InChIKeyBEQZGVCGDXZPDD-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
LogP ≤ 52.82
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

1-[[2-(difluoromethoxy)phenyl]methyl]-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168671108
1-[(3-chloro-2-fluorophenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168685468
1-[(2,5-dimethoxyphenyl)methyl]-4-ethenylpyrrolidin-2-one
CID 168684467
4-ethenyl-1-(quinoxalin-2-ylmethyl)pyrrolidin-2-one
CID 168685508
4-ethenyl-1-(isoquinolin-3-ylmethyl)pyrrolidin-2-one
CID 168685452
4-ethenyl-1-[(1-phenylcyclopentyl)methyl]pyrrolidin-2-one
CID 168685186
4-ethenyl-1-(pyrimidin-5-ylmethyl)pyrrolidin-2-one
CID 168685494
4-ethenyl-1-[(2,4,6-trimethylphenyl)methyl]pyrrolidin-2-one
CID 168684919
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-sulfonyl fluoride
CID 168714138
1-[(2-methoxyphenyl)methyl]-5-oxopyrrolidine-3-carboxamide
CID 75532056
1-[[2-[(2-fluorophenyl)methoxy]phenyl]methyl]-5-oxopyrrolidine-3-carboxylic acid
CID 22683234
1-[[2-(difluoromethoxy)phenyl]methyl]-4-hydroxypyrrolidine-2-carboxylic acid
CID 114351798

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one?
The IUPAC name of 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one (CID 168685426) is 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one.
What is the SMILES notation for 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one?
The canonical SMILES for 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one is C=CC1CC(=O)N(Cc2ccccc2OC(F)F)C1.
What is the InChIKey of 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one?
The InChIKey is BEQZGVCGDXZPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2NO2/c1-2-10-7-13(18)17(8-10)9-11-5-3-4-6-12(11)19-14(15)16/h2-6,10,14H,1,7-9H2.
What are the key properties of 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one?
1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one has a molecular weight of 267.27 g/mol, XLogP of 2.82, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(difluoromethoxy)phenyl]methyl]-4-ethenylpyrrolidin-2-one is sourced from PubChem (CID 168685426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).