3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione

C16H13FN2O3 — CID 163258310

IUPAC3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)C3=c4c2cccc4=C(F)CC3)C(=O)N1
InChIInChI=1S/C16H13FN2O3/c17-10-5-4-9-14-8(10)2-1-3-11(14)19(16(9)22)12-6-7-13(20)18-15(12)21/h1-3,12H,4-7H2,(H,18,20,21)
InChIKeyGPLNXWXLAZHMQG-UHFFFAOYSA-N
MW300.29 g/mol
LogP-0.14
Rot. Bonds1

About 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione

3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione (PubChem CID 163258310) has the molecular formula C16H13FN2O3 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Name3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione
PubChem CID163258310
Molecular FormulaC16H13FN2O3
Molecular Weight300.29 g/mol
Exact Mass300.09
IUPAC Name3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione
SMILESO=C1CCC(N2C(=O)C3=c4c2cccc4=C(F)CC3)C(=O)N1
InChIInChI=1S/C16H13FN2O3/c17-10-5-4-9-14-8(10)2-1-3-11(14)19(16(9)22)12-6-7-13(20)18-15(12)21/h1-3,12H,4-7H2,(H,18,20,21)
InChIKeyGPLNXWXLAZHMQG-UHFFFAOYSA-N
XLogP-0.14
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 5-0.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione with MolForge

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Related Compounds

2-(2,6-dioxopiperidin-3-yl)-5-fluoro-8H-cyclohepta[c]pyrrole-1,3-dione
CID 134581938
2-(2,6-Dioxopiperidin-3-yl)-5-fluoro-5,6-dihydroisoindole-1,3-dione
CID 134581950
3-fluoro-3-(3-oxo-7,7a-dihydro-1H-isoindol-2-yl)piperidine-2,6-dione
CID 141245440
3-(4-ethenyl-5-oxo-3-prop-1-en-2-yl-2H-pyrrol-1-yl)-3-fluoropiperidine-2,6-dione
CID 142305948
3-[3-[(Z)-but-2-en-2-yl]-4-(1-fluoroethenyl)-5-oxo-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 142305955
3-[3-[(Z)-but-2-en-2-yl]-4-ethenyl-5-oxo-2H-pyrrol-1-yl]-3-fluoropiperidine-2,6-dione
CID 145382042
2-(2,6-Dioxopiperidin-3-yl)-4-fluoro-5,6-dihydroisoindole-1,3-dione
CID 145407549
2-(2,6-Dioxopiperidin-3-yl)-7-fluoro-4,5-dihydroisoindole-1,3-dione
CID 147507530
3-[3-[(1Z)-3-fluorobuta-1,3-dienyl]-4-methyl-2,5-dioxopyrrol-1-yl]piperidine-2,6-dione
CID 155468820
3-[5-oxo-4-[(1E)-2-(trifluoromethyl)buta-1,3-dienyl]-2H-pyrrol-1-yl]piperidine-2,6-dione
CID 156793781
3-[2-Oxo-7-(trifluoromethyl)-3,4-dihydrobenzo[cd]indol-1-yl]piperidine-2,6-dione
CID 163259020
(3E,4Z)-3-ethylidene-4-(1-fluoroethylidene)-1-(6-methylidene-2-oxopiperidin-3-yl)pyrrolidine-2,5-dione
CID 163267810

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione?
The IUPAC name of 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione (CID 163258310) is 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione?
The canonical SMILES for 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione is O=C1CCC(N2C(=O)C3=c4c2cccc4=C(F)CC3)C(=O)N1.
What is the InChIKey of 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione?
The InChIKey is GPLNXWXLAZHMQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O3/c17-10-5-4-9-14-8(10)2-1-3-11(14)19(16(9)22)12-6-7-13(20)18-15(12)21/h1-3,12H,4-7H2,(H,18,20,21).
What are the key properties of 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione?
3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione has a molecular weight of 300.29 g/mol, XLogP of -0.14, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-fluoro-2-oxo-3,4-dihydrobenzo[cd]indol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 163258310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).