3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione

C9H13FN2O2 — CID 166865158

IUPAC3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione
SMILESC/C(=C/F)CNC1CCC(=O)NC1=O
InChIInChI=1S/C9H13FN2O2/c1-6(4-10)5-11-7-2-3-8(13)12-9(7)14/h4,7,11H,2-3,5H2,1H3,(H,12,13,14)/b6-4-
InChIKeyKQEQBVFNIOIMBA-XQRVVYSFSA-N
MW200.21 g/mol
LogP0.25
Rot. Bonds3

About 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione

3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione (PubChem CID 166865158) has the molecular formula C9H13FN2O2 and a molecular weight of 200.21 g/mol. Its IUPAC name is 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione
PubChem CID166865158
Molecular FormulaC9H13FN2O2
Molecular Weight200.21 g/mol
Exact Mass200.10
IUPAC Name3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione
SMILESC/C(=C/F)CNC1CCC(=O)NC1=O
InChIInChI=1S/C9H13FN2O2/c1-6(4-10)5-11-7-2-3-8(13)12-9(7)14/h4,7,11H,2-3,5H2,1H3,(H,12,13,14)/b6-4-
InChIKeyKQEQBVFNIOIMBA-XQRVVYSFSA-N
XLogP0.25
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.21
LogP ≤ 50.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione (CID 166865158) is 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione is C/C(=C/F)CNC1CCC(=O)NC1=O.
What is the InChIKey of 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione?
The InChIKey is KQEQBVFNIOIMBA-XQRVVYSFSA-N. The full InChI is InChI=1S/C9H13FN2O2/c1-6(4-10)5-11-7-2-3-8(13)12-9(7)14/h4,7,11H,2-3,5H2,1H3,(H,12,13,14)/b6-4-.
What are the key properties of 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione?
3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione has a molecular weight of 200.21 g/mol, XLogP of 0.25, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 166865158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).