3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione

C12H19FN2O2 — CID 167011321

IUPAC3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione
SMILESCC/C(F)=C(\CC)CNC1CCC(=O)NC1=O
InChIInChI=1S/C12H19FN2O2/c1-3-8(9(13)4-2)7-14-10-5-6-11(16)15-12(10)17/h10,14H,3-7H2,1-2H3,(H,15,16,17)/b9-8-
InChIKeyDMOSVRHQBZOWCM-HJWRWDBZSA-N
MW242.29 g/mol
LogP1.42
Rot. Bonds5

About 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione

3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione (PubChem CID 167011321) has the molecular formula C12H19FN2O2 and a molecular weight of 242.29 g/mol. Its IUPAC name is 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione
PubChem CID167011321
Molecular FormulaC12H19FN2O2
Molecular Weight242.29 g/mol
Exact Mass242.14
IUPAC Name3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione
SMILESCC/C(F)=C(\CC)CNC1CCC(=O)NC1=O
InChIInChI=1S/C12H19FN2O2/c1-3-8(9(13)4-2)7-14-10-5-6-11(16)15-12(10)17/h10,14H,3-7H2,1-2H3,(H,15,16,17)/b9-8-
InChIKeyDMOSVRHQBZOWCM-HJWRWDBZSA-N
XLogP1.42
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 51.42
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)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione?
The IUPAC name of 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione (CID 167011321) is 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione.
What is the SMILES notation for 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione?
The canonical SMILES for 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione is CC/C(F)=C(\CC)CNC1CCC(=O)NC1=O.
What is the InChIKey of 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione?
The InChIKey is DMOSVRHQBZOWCM-HJWRWDBZSA-N. The full InChI is InChI=1S/C12H19FN2O2/c1-3-8(9(13)4-2)7-14-10-5-6-11(16)15-12(10)17/h10,14H,3-7H2,1-2H3,(H,15,16,17)/b9-8-.
What are the key properties of 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione?
3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione has a molecular weight of 242.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(Z)-2-ethyl-3-fluoropent-2-enyl]amino]piperidine-2,6-dione is sourced from PubChem (CID 167011321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).