5-(2-fluorophenyl)-5-methylpyrrolidin-2-one

C11H12FNO — CID 105446893

IUPAC5-(2-fluorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1(c2ccccc2F)CCC(=O)N1
InChIInChI=1S/C11H12FNO/c1-11(7-6-10(14)13-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyTWAFVCDHBKBGCL-UHFFFAOYSA-N
MW193.22 g/mol
LogP1.95
Rot. Bonds1

About 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one

5-(2-fluorophenyl)-5-methylpyrrolidin-2-one (PubChem CID 105446893) has the molecular formula C11H12FNO and a molecular weight of 193.22 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-(2-fluorophenyl)-5-methylpyrrolidin-2-one
PubChem CID105446893
Molecular FormulaC11H12FNO
Molecular Weight193.22 g/mol
Exact Mass193.09
IUPAC Name5-(2-fluorophenyl)-5-methylpyrrolidin-2-one
SMILESCC1(c2ccccc2F)CCC(=O)N1
InChIInChI=1S/C11H12FNO/c1-11(7-6-10(14)13-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14)
InChIKeyTWAFVCDHBKBGCL-UHFFFAOYSA-N
XLogP1.95
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.22
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one?
The IUPAC name of 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one (CID 105446893) is 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one.
What is the SMILES notation for 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one?
The canonical SMILES for 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one is CC1(c2ccccc2F)CCC(=O)N1.
What is the InChIKey of 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one?
The InChIKey is TWAFVCDHBKBGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FNO/c1-11(7-6-10(14)13-11)8-4-2-3-5-9(8)12/h2-5H,6-7H2,1H3,(H,13,14).
What are the key properties of 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one?
5-(2-fluorophenyl)-5-methylpyrrolidin-2-one has a molecular weight of 193.22 g/mol, XLogP of 1.95, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-5-methylpyrrolidin-2-one is sourced from PubChem (CID 105446893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).