3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione

C14H19FN2O2 — CID 170614758

IUPAC3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
SMILESCC/C(F)=C\C1=C(C)CCN1C1CCC(=O)NC1=O
InChIInChI=1S/C14H19FN2O2/c1-3-10(15)8-12-9(2)6-7-17(12)11-4-5-13(18)16-14(11)19/h8,11H,3-7H2,1-2H3,(H,16,18,19)/b10-8+
InChIKeyQRAYWEIRXAQBEL-CSKARUKUSA-N
MW266.32 g/mol
LogP2.03
Rot. Bonds3

About 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione

3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione (PubChem CID 170614758) has the molecular formula C14H19FN2O2 and a molecular weight of 266.32 g/mol. Its IUPAC name is 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
PubChem CID170614758
Molecular FormulaC14H19FN2O2
Molecular Weight266.32 g/mol
Exact Mass266.14
IUPAC Name3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione
SMILESCC/C(F)=C\C1=C(C)CCN1C1CCC(=O)NC1=O
InChIInChI=1S/C14H19FN2O2/c1-3-10(15)8-12-9(2)6-7-17(12)11-4-5-13(18)16-14(11)19/h8,11H,3-7H2,1-2H3,(H,16,18,19)/b10-8+
InChIKeyQRAYWEIRXAQBEL-CSKARUKUSA-N
XLogP2.03
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 52.03
H-Bond Donors ≤ 51
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-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione (CID 170614758) is 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione is CC/C(F)=C\C1=C(C)CCN1C1CCC(=O)NC1=O.
What is the InChIKey of 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione?
The InChIKey is QRAYWEIRXAQBEL-CSKARUKUSA-N. The full InChI is InChI=1S/C14H19FN2O2/c1-3-10(15)8-12-9(2)6-7-17(12)11-4-5-13(18)16-14(11)19/h8,11H,3-7H2,1-2H3,(H,16,18,19)/b10-8+.
What are the key properties of 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione?
3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione has a molecular weight of 266.32 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[(E)-2-fluorobut-1-enyl]-4-methyl-2,3-dihydropyrrol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 170614758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).