3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione

C11H17FN2O2 — CID 167275854

IUPAC3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione
SMILESCC(C)=C(CF)CNC1CCC(=O)NC1=O
InChIInChI=1S/C11H17FN2O2/c1-7(2)8(5-12)6-13-9-3-4-10(15)14-11(9)16/h9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyPORYMGZUKSKUOX-UHFFFAOYSA-N
MW228.27 g/mol
LogP0.69
Rot. Bonds4

About 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione

3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione (PubChem CID 167275854) has the molecular formula C11H17FN2O2 and a molecular weight of 228.27 g/mol. Its IUPAC name is 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione
PubChem CID167275854
Molecular FormulaC11H17FN2O2
Molecular Weight228.27 g/mol
Exact Mass228.13
IUPAC Name3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione
SMILESCC(C)=C(CF)CNC1CCC(=O)NC1=O
InChIInChI=1S/C11H17FN2O2/c1-7(2)8(5-12)6-13-9-3-4-10(15)14-11(9)16/h9,13H,3-6H2,1-2H3,(H,14,15,16)
InChIKeyPORYMGZUKSKUOX-UHFFFAOYSA-N
XLogP0.69
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.27
LogP ≤ 50.69
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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Related Compounds

(S)-N-(2,6-Dioxopiperidin-3-yl)pentanamide
CID 10965828
N-[(3S)-2,6-dioxopiperidin-3-yl]-2,2-dimethylpropanamide
CID 124508490
3-[[(2Z)-2-(fluoromethylidene)butyl]amino]piperidine-2,6-dione
CID 147501193
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-3-methyl-2-methylidenebutanamide
CID 155036890
3-(4-Fluoropent-4-en-2-ylamino)piperidine-2,6-dione
CID 156517758
3-[[(Z)-3-fluoro-2-methylprop-2-enyl]amino]piperidine-2,6-dione
CID 166865158
3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione
CID 167011321
3-[(3-Fluoro-2-methylidenebutyl)amino]piperidine-2,6-dione
CID 167275823
(E,4R)-N-(2,6-dioxopiperidin-3-yl)-4-fluoro-2,3-dimethylpent-2-enamide
CID 169647556
3-(2-Fluoroethylamino)piperidine-2,6-dione
CID 80694061
3-(2-Fluoroethylamino)-1-methylpiperidine-2,6-dione
CID 80694062
3-(3-Fluoropropylamino)piperidine-2,6-dione
CID 81107323

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione (CID 167275854) is 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione is CC(C)=C(CF)CNC1CCC(=O)NC1=O.
What is the InChIKey of 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione?
The InChIKey is PORYMGZUKSKUOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17FN2O2/c1-7(2)8(5-12)6-13-9-3-4-10(15)14-11(9)16/h9,13H,3-6H2,1-2H3,(H,14,15,16).
What are the key properties of 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione?
3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione has a molecular weight of 228.27 g/mol, XLogP of 0.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(fluoromethyl)-3-methylbut-2-enyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 167275854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).