5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one

C16H17FN2O2 — CID 167759569

IUPAC5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(=O)N1CC=C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H17FN2O2/c1-18-14(6-7-15(18)20)16(21)19-9-8-12(10-19)11-2-4-13(17)5-3-11/h2-5,8,14H,6-7,9-10H2,1H3
InChIKeyPTLGRXKBFWUXIG-UHFFFAOYSA-N
MW288.32 g/mol
LogP1.67
Rot. Bonds2

About 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one

5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one (PubChem CID 167759569) has the molecular formula C16H17FN2O2 and a molecular weight of 288.32 g/mol. Its IUPAC name is 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one.

Molecular Properties

Compound Name5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one
PubChem CID167759569
Molecular FormulaC16H17FN2O2
Molecular Weight288.32 g/mol
Exact Mass288.13
IUPAC Name5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one
SMILESCN1C(=O)CCC1C(=O)N1CC=C(c2ccc(F)cc2)C1
InChIInChI=1S/C16H17FN2O2/c1-18-14(6-7-15(18)20)16(21)19-9-8-12(10-19)11-2-4-13(17)5-3-11/h2-5,8,14H,6-7,9-10H2,1H3
InChIKeyPTLGRXKBFWUXIG-UHFFFAOYSA-N
XLogP1.67
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.32
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one?
The IUPAC name of 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one (CID 167759569) is 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one.
What is the SMILES notation for 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one?
The canonical SMILES for 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one is CN1C(=O)CCC1C(=O)N1CC=C(c2ccc(F)cc2)C1.
What is the InChIKey of 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one?
The InChIKey is PTLGRXKBFWUXIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN2O2/c1-18-14(6-7-15(18)20)16(21)19-9-8-12(10-19)11-2-4-13(17)5-3-11/h2-5,8,14H,6-7,9-10H2,1H3.
What are the key properties of 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one?
5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one has a molecular weight of 288.32 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(4-fluorophenyl)-2,5-dihydropyrrole-1-carbonyl]-1-methylpyrrolidin-2-one is sourced from PubChem (CID 167759569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).