3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione

C10H15FN2O2 — CID 167275823

IUPAC3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione
SMILESC=C(CNC1CCC(=O)NC1=O)C(C)F
InChIInChI=1S/C10H15FN2O2/c1-6(7(2)11)5-12-8-3-4-9(14)13-10(8)15/h7-8,12H,1,3-5H2,2H3,(H,13,14,15)
InChIKeyYBFVGTXEJFGBPZ-UHFFFAOYSA-N
MW214.24 g/mol
LogP0.30
Rot. Bonds4

About 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione

3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione (PubChem CID 167275823) has the molecular formula C10H15FN2O2 and a molecular weight of 214.24 g/mol. Its IUPAC name is 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione
PubChem CID167275823
Molecular FormulaC10H15FN2O2
Molecular Weight214.24 g/mol
Exact Mass214.11
IUPAC Name3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione
SMILESC=C(CNC1CCC(=O)NC1=O)C(C)F
InChIInChI=1S/C10H15FN2O2/c1-6(7(2)11)5-12-8-3-4-9(14)13-10(8)15/h7-8,12H,1,3-5H2,2H3,(H,13,14,15)
InChIKeyYBFVGTXEJFGBPZ-UHFFFAOYSA-N
XLogP0.30
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.24
LogP ≤ 50.30
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-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione?
The IUPAC name of 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione (CID 167275823) is 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione?
The canonical SMILES for 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione is C=C(CNC1CCC(=O)NC1=O)C(C)F.
What is the InChIKey of 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione?
The InChIKey is YBFVGTXEJFGBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15FN2O2/c1-6(7(2)11)5-12-8-3-4-9(14)13-10(8)15/h7-8,12H,1,3-5H2,2H3,(H,13,14,15).
What are the key properties of 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione?
3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione has a molecular weight of 214.24 g/mol, XLogP of 0.30, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione is sourced from PubChem (CID 167275823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).