3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen

C15H23FN2O2 — CID 177003050

IUPAC3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen
SMILESC=C(C)CC1C=C(NC2CCC(=O)NC2=O)C=C(F)C1.[H][H].[H][H]
InChIInChI=1S/C15H19FN2O2.2H2/c1-9(2)5-10-6-11(16)8-12(7-10)17-13-3-4-14(19)18-15(13)20;;/h7-8,10,13,17H,1,3-6H2,2H3,(H,18,19,20);2*1H
InChIKeyGSQOLOXOFGZIEF-UHFFFAOYSA-N
MW282.36 g/mol
LogP2.60
Rot. Bonds4

About 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen

3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen (PubChem CID 177003050) has the molecular formula C15H23FN2O2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen.

Molecular Properties

Compound Name3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen
PubChem CID177003050
Molecular FormulaC15H23FN2O2
Molecular Weight282.36 g/mol
Exact Mass282.17
IUPAC Name3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen
SMILESC=C(C)CC1C=C(NC2CCC(=O)NC2=O)C=C(F)C1.[H][H].[H][H]
InChIInChI=1S/C15H19FN2O2.2H2/c1-9(2)5-10-6-11(16)8-12(7-10)17-13-3-4-14(19)18-15(13)20;;/h7-8,10,13,17H,1,3-6H2,2H3,(H,18,19,20);2*1H
InChIKeyGSQOLOXOFGZIEF-UHFFFAOYSA-N
XLogP2.60
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.36
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen?
The IUPAC name of 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen (CID 177003050) is 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen.
What is the SMILES notation for 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen?
The canonical SMILES for 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen is C=C(C)CC1C=C(NC2CCC(=O)NC2=O)C=C(F)C1.[H][H].[H][H].
What is the InChIKey of 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen?
The InChIKey is GSQOLOXOFGZIEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN2O2.2H2/c1-9(2)5-10-6-11(16)8-12(7-10)17-13-3-4-14(19)18-15(13)20;;/h7-8,10,13,17H,1,3-6H2,2H3,(H,18,19,20);2*1H.
What are the key properties of 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen?
3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen has a molecular weight of 282.36 g/mol, XLogP of 2.60, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-fluoro-3-(2-methylprop-2-enyl)cyclohexa-1,5-dien-1-yl]amino]piperidine-2,6-dione;molecular hydrogen is sourced from PubChem (CID 177003050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).