(4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione

C10H12FNO2 — CID 142984802

IUPAC(4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione
SMILESCCC/C=C(F)\C=C1/CNC(=O)C1=O
InChIInChI=1S/C10H12FNO2/c1-2-3-4-8(11)5-7-6-12-10(14)9(7)13/h4-5H,2-3,6H2,1H3,(H,12,14)/b7-5+,8-4+
InChIKeyOQHBKOIOZFSWMH-JBVHCYJISA-N
MW197.21 g/mol
LogP1.27
Rot. Bonds3

About (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione

(4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione (PubChem CID 142984802) has the molecular formula C10H12FNO2 and a molecular weight of 197.21 g/mol. Its IUPAC name is (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione.

Molecular Properties

Compound Name(4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione
PubChem CID142984802
Molecular FormulaC10H12FNO2
Molecular Weight197.21 g/mol
Exact Mass197.09
IUPAC Name(4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione
SMILESCCC/C=C(F)\C=C1/CNC(=O)C1=O
InChIInChI=1S/C10H12FNO2/c1-2-3-4-8(11)5-7-6-12-10(14)9(7)13/h4-5H,2-3,6H2,1H3,(H,12,14)/b7-5+,8-4+
InChIKeyOQHBKOIOZFSWMH-JBVHCYJISA-N
XLogP1.27
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.21
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione?
The IUPAC name of (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione (CID 142984802) is (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione.
What is the SMILES notation for (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione?
The canonical SMILES for (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione is CCC/C=C(F)\C=C1/CNC(=O)C1=O.
What is the InChIKey of (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione?
The InChIKey is OQHBKOIOZFSWMH-JBVHCYJISA-N. The full InChI is InChI=1S/C10H12FNO2/c1-2-3-4-8(11)5-7-6-12-10(14)9(7)13/h4-5H,2-3,6H2,1H3,(H,12,14)/b7-5+,8-4+.
What are the key properties of (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione?
(4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione has a molecular weight of 197.21 g/mol, XLogP of 1.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4E)-4-[(E)-2-fluorohex-2-enylidene]pyrrolidine-2,3-dione is sourced from PubChem (CID 142984802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).