2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione

C15H17FN2O2 — CID 175208589

IUPAC2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCC(F)C1
InChIInChI=1S/C15H17FN2O2/c16-11-6-9-17(10-11)7-3-8-18-14(19)12-4-1-2-5-13(12)15(18)20/h1-2,4-5,11H,3,6-10H2
InChIKeyHCYVHDMIGKZQJL-UHFFFAOYSA-N
MW276.31 g/mol
LogP1.72
Rot. Bonds4

About 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione

2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione (PubChem CID 175208589) has the molecular formula C15H17FN2O2 and a molecular weight of 276.31 g/mol. Its IUPAC name is 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione.

Molecular Properties

Compound Name2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
PubChem CID175208589
Molecular FormulaC15H17FN2O2
Molecular Weight276.31 g/mol
Exact Mass276.13
IUPAC Name2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione
SMILESO=C1c2ccccc2C(=O)N1CCCN1CCC(F)C1
InChIInChI=1S/C15H17FN2O2/c16-11-6-9-17(10-11)7-3-8-18-14(19)12-4-1-2-5-13(12)15(18)20/h1-2,4-5,11H,3,6-10H2
InChIKeyHCYVHDMIGKZQJL-UHFFFAOYSA-N
XLogP1.72
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.31
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione with MolForge

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

Launch Full Analysis

Related Compounds

2-[4-[3-(hydroxymethyl)pyrrolidin-1-yl]butyl]isoindole-1,3-dione
CID 111442706
2-[2-(3-aminopyrrolidin-1-yl)ethyl]isoindole-1,3-dione;hydrochloride
CID 119917686
2-[3-[(3S,4R)-3,4-dihydroxypyrrolidin-1-yl]propyl]isoindole-1,3-dione
CID 103734065
2-(3-pyrrolidin-1-ylpropyl)isoindole-1,3-dione
CID 12612173
2-[2-(3-hydroxypyrrolidin-1-yl)ethyl]isoindole-1,3-dione
CID 62918343
2-[2-(4-aminopiperidin-1-yl)ethyl]isoindole-1,3-dione;dihydrochloride
CID 127021054
2-[2-[(3R)-3-hydroxypyrrolidin-1-yl]ethyl]isoindole-1,3-dione
CID 78963607
N-[1-[3-(1,3-dioxoisoindol-2-yl)propyl]piperidin-4-yl]-N-methylmethanesulfonamide
CID 48736556
2-[2-(4-methylpiperidin-1-yl)ethyl]isoindole-1,3-dione
CID 8557612
2-[4-(1,3-dioxoisoindol-2-yl)(1,4-13C2)butyl]isoindole-1,3-dione
CID 10784038
1-[3-(1,3-dioxoisoindol-2-yl)propyl]-N-(2,2,2-trifluoroethyl)piperidine-4-carboxamide
CID 35169844
2-[4-(4-benzoylpiperidin-1-yl)butyl]isoindole-1,3-dione
CID 16609140

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The IUPAC name of 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione (CID 175208589) is 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione.
What is the SMILES notation for 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The canonical SMILES for 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione is O=C1c2ccccc2C(=O)N1CCCN1CCC(F)C1.
What is the InChIKey of 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione?
The InChIKey is HCYVHDMIGKZQJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2/c16-11-6-9-17(10-11)7-3-8-18-14(19)12-4-1-2-5-13(12)15(18)20/h1-2,4-5,11H,3,6-10H2.
What are the key properties of 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione?
2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione has a molecular weight of 276.31 g/mol, XLogP of 1.72, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-fluoropyrrolidin-1-yl)propyl]isoindole-1,3-dione is sourced from PubChem (CID 175208589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).