1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

C16H19FN2O2 — CID 46705212

IUPAC1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c17-14-5-3-12(4-6-14)10-19-11-13(9-15(19)20)16(21)18-7-1-2-8-18/h3-6,13H,1-2,7-11H2
InChIKeyBDIRMNHUNJSDTJ-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.80
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one

1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (PubChem CID 46705212) has the molecular formula C16H19FN2O2 and a molecular weight of 290.34 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
PubChem CID46705212
Molecular FormulaC16H19FN2O2
Molecular Weight290.34 g/mol
Exact Mass290.14
IUPAC Name1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one
SMILESO=C1CC(C(=O)N2CCCC2)CN1Cc1ccc(F)cc1
InChIInChI=1S/C16H19FN2O2/c17-14-5-3-12(4-6-14)10-19-11-13(9-15(19)20)16(21)18-7-1-2-8-18/h3-6,13H,1-2,7-11H2
InChIKeyBDIRMNHUNJSDTJ-UHFFFAOYSA-N
XLogP1.80
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)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 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one (CID 46705212) is 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is O=C1CC(C(=O)N2CCCC2)CN1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
The InChIKey is BDIRMNHUNJSDTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O2/c17-14-5-3-12(4-6-14)10-19-11-13(9-15(19)20)16(21)18-7-1-2-8-18/h3-6,13H,1-2,7-11H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one?
1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one has a molecular weight of 290.34 g/mol, XLogP of 1.80, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-4-(pyrrolidine-1-carbonyl)pyrrolidin-2-one is sourced from PubChem (CID 46705212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).