1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one

C13H14FNO3 — CID 58915264

IUPAC1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCC(=O)N2C(C)=O)cc1F
InChIInChI=1S/C13H14FNO3/c1-8(16)15-11(4-6-13(15)17)9-3-5-12(18-2)10(14)7-9/h3,5,7,11H,4,6H2,1-2H3
InChIKeyJGNVZXKJQNDFSA-UHFFFAOYSA-N
MW251.26 g/mol
LogP2.04
Rot. Bonds2

About 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one

1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one (PubChem CID 58915264) has the molecular formula C13H14FNO3 and a molecular weight of 251.26 g/mol. Its IUPAC name is 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one
PubChem CID58915264
Molecular FormulaC13H14FNO3
Molecular Weight251.26 g/mol
Exact Mass251.10
IUPAC Name1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1ccc(C2CCC(=O)N2C(C)=O)cc1F
InChIInChI=1S/C13H14FNO3/c1-8(16)15-11(4-6-13(15)17)9-3-5-12(18-2)10(14)7-9/h3,5,7,11H,4,6H2,1-2H3
InChIKeyJGNVZXKJQNDFSA-UHFFFAOYSA-N
XLogP2.04
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.26
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one (CID 58915264) is 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one is COc1ccc(C2CCC(=O)N2C(C)=O)cc1F.
What is the InChIKey of 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is JGNVZXKJQNDFSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FNO3/c1-8(16)15-11(4-6-13(15)17)9-3-5-12(18-2)10(14)7-9/h3,5,7,11H,4,6H2,1-2H3.
What are the key properties of 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one?
1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 251.26 g/mol, XLogP of 2.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-(3-fluoro-4-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 58915264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).