(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one

C16H22FNO — CID 97273158

IUPAC(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](Cc2ccccc2)CN1CCCCCF
InChIInChI=1S/C16H22FNO/c17-9-5-2-6-10-18-13-15(12-16(18)19)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m1/s1
InChIKeyRHCMAFHCZXKTCP-OAHLLOKOSA-N
MW263.36 g/mol
LogP3.22
Rot. Bonds7

About (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one

(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one (PubChem CID 97273158) has the molecular formula C16H22FNO and a molecular weight of 263.36 g/mol. Its IUPAC name is (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one
PubChem CID97273158
Molecular FormulaC16H22FNO
Molecular Weight263.36 g/mol
Exact Mass263.17
IUPAC Name(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one
SMILESO=C1C[C@@H](Cc2ccccc2)CN1CCCCCF
InChIInChI=1S/C16H22FNO/c17-9-5-2-6-10-18-13-15(12-16(18)19)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m1/s1
InChIKeyRHCMAFHCZXKTCP-OAHLLOKOSA-N
XLogP3.22
TPSA20.31 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.36
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one?
The IUPAC name of (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one (CID 97273158) is (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one is O=C1C[C@@H](Cc2ccccc2)CN1CCCCCF.
What is the InChIKey of (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one?
The InChIKey is RHCMAFHCZXKTCP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H22FNO/c17-9-5-2-6-10-18-13-15(12-16(18)19)11-14-7-3-1-4-8-14/h1,3-4,7-8,15H,2,5-6,9-13H2/t15-/m1/s1.
What are the key properties of (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one?
(4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one has a molecular weight of 263.36 g/mol, XLogP of 3.22, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-1-(5-fluoropentyl)pyrrolidin-2-one is sourced from PubChem (CID 97273158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).