1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one

C11H12FNO2 — CID 130500147

IUPAC1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one
SMILESCOc1cc(F)cc(N2CCC(=O)C2)c1
InChIInChI=1S/C11H12FNO2/c1-15-11-5-8(12)4-9(6-11)13-3-2-10(14)7-13/h4-6H,2-3,7H2,1H3
InChIKeyABMFJFGOALWPKE-UHFFFAOYSA-N
MW209.22 g/mol
LogP1.61
Rot. Bonds2

About 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one

1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one (PubChem CID 130500147) has the molecular formula C11H12FNO2 and a molecular weight of 209.22 g/mol. Its IUPAC name is 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one.

Molecular Properties

Compound Name1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one
PubChem CID130500147
Molecular FormulaC11H12FNO2
Molecular Weight209.22 g/mol
Exact Mass209.09
IUPAC Name1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one
SMILESCOc1cc(F)cc(N2CCC(=O)C2)c1
InChIInChI=1S/C11H12FNO2/c1-15-11-5-8(12)4-9(6-11)13-3-2-10(14)7-13/h4-6H,2-3,7H2,1H3
InChIKeyABMFJFGOALWPKE-UHFFFAOYSA-N
XLogP1.61
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.22
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one?
The IUPAC name of 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one (CID 130500147) is 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one.
What is the SMILES notation for 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one?
The canonical SMILES for 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one is COc1cc(F)cc(N2CCC(=O)C2)c1.
What is the InChIKey of 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one?
The InChIKey is ABMFJFGOALWPKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO2/c1-15-11-5-8(12)4-9(6-11)13-3-2-10(14)7-13/h4-6H,2-3,7H2,1H3.
What are the key properties of 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one?
1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one has a molecular weight of 209.22 g/mol, XLogP of 1.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluoro-5-methoxyphenyl)pyrrolidin-3-one is sourced from PubChem (CID 130500147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).