(5S)-5-(4-fluorophenyl)pyrrolidin-2-one

C10H10FNO — CID 13293375

IUPAC(5S)-5-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2ccc(F)cc2)N1
InChIInChI=1S/C10H10FNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1
InChIKeyPMDKRVJPWNBFEM-VIFPVBQESA-N
MW179.19 g/mol
LogP1.78
Rot. Bonds1

About (5S)-5-(4-fluorophenyl)pyrrolidin-2-one

(5S)-5-(4-fluorophenyl)pyrrolidin-2-one (PubChem CID 13293375) has the molecular formula C10H10FNO and a molecular weight of 179.19 g/mol. Its IUPAC name is (5S)-5-(4-fluorophenyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(5S)-5-(4-fluorophenyl)pyrrolidin-2-one
PubChem CID13293375
Molecular FormulaC10H10FNO
Molecular Weight179.19 g/mol
Exact Mass179.07
IUPAC Name(5S)-5-(4-fluorophenyl)pyrrolidin-2-one
SMILESO=C1CC[C@@H](c2ccc(F)cc2)N1
InChIInChI=1S/C10H10FNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1
InChIKeyPMDKRVJPWNBFEM-VIFPVBQESA-N
XLogP1.78
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.19
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-(4-fluorophenyl)pyrrolidin-2-one?
The IUPAC name of (5S)-5-(4-fluorophenyl)pyrrolidin-2-one (CID 13293375) is (5S)-5-(4-fluorophenyl)pyrrolidin-2-one.
What is the SMILES notation for (5S)-5-(4-fluorophenyl)pyrrolidin-2-one?
The canonical SMILES for (5S)-5-(4-fluorophenyl)pyrrolidin-2-one is O=C1CC[C@@H](c2ccc(F)cc2)N1.
What is the InChIKey of (5S)-5-(4-fluorophenyl)pyrrolidin-2-one?
The InChIKey is PMDKRVJPWNBFEM-VIFPVBQESA-N. The full InChI is InChI=1S/C10H10FNO/c11-8-3-1-7(2-4-8)9-5-6-10(13)12-9/h1-4,9H,5-6H2,(H,12,13)/t9-/m0/s1.
What are the key properties of (5S)-5-(4-fluorophenyl)pyrrolidin-2-one?
(5S)-5-(4-fluorophenyl)pyrrolidin-2-one has a molecular weight of 179.19 g/mol, XLogP of 1.78, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(4-fluorophenyl)pyrrolidin-2-one is sourced from PubChem (CID 13293375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).