1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one

C11H12FNO2 — CID 166609101

IUPAC1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(F)c1N1CCCC1=O
InChIInChI=1S/C11H12FNO2/c1-15-9-5-2-4-8(12)11(9)13-7-3-6-10(13)14/h2,4-5H,3,6-7H2,1H3
InChIKeyVLXNRNHQKZFBLT-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.96
Rot. Bonds2

About 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one

1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one (PubChem CID 166609101) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
PubChem CID166609101
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one
SMILESCOc1cccc(F)c1N1CCCC1=O
InChIInChI=1S/C11H12FNO2/c1-15-9-5-2-4-8(12)11(9)13-7-3-6-10(13)14/h2,4-5H,3,6-7H2,1H3
InChIKeyVLXNRNHQKZFBLT-UHFFFAOYSA-N
XLogP1.96
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one?
The IUPAC name of 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one (CID 166609101) is 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one.
What is the SMILES notation for 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one?
The canonical SMILES for 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one is COc1cccc(F)c1N1CCCC1=O.
What is the InChIKey of 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one?
The InChIKey is VLXNRNHQKZFBLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-9-5-2-4-8(12)11(9)13-7-3-6-10(13)14/h2,4-5H,3,6-7H2,1H3.
What are the key properties of 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one?
1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one has a molecular weight of 209.22 g/mol, XLogP of 1.96, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoro-6-methoxyphenyl)pyrrolidin-2-one is sourced from PubChem (CID 166609101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).