3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione

C15H10FNO3 — CID 77040477

IUPAC3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione
SMILESO=C1CC(=Cc2ccc(-c3ccccc3F)o2)C(=O)N1
InChIInChI=1S/C15H10FNO3/c16-12-4-2-1-3-11(12)13-6-5-10(20-13)7-9-8-14(18)17-15(9)19/h1-7H,8H2,(H,17,18,19)
InChIKeyDWBBQNKRWQEDMB-UHFFFAOYSA-N
MW271.25 g/mol
LogP2.52
Rot. Bonds2

About 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione

3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione (PubChem CID 77040477) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione
PubChem CID77040477
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione
SMILESO=C1CC(=Cc2ccc(-c3ccccc3F)o2)C(=O)N1
InChIInChI=1S/C15H10FNO3/c16-12-4-2-1-3-11(12)13-6-5-10(20-13)7-9-8-14(18)17-15(9)19/h1-7H,8H2,(H,17,18,19)
InChIKeyDWBBQNKRWQEDMB-UHFFFAOYSA-N
XLogP2.52
TPSA59.31 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione?
The IUPAC name of 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione (CID 77040477) is 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione.
What is the SMILES notation for 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione?
The canonical SMILES for 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione is O=C1CC(=Cc2ccc(-c3ccccc3F)o2)C(=O)N1.
What is the InChIKey of 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione?
The InChIKey is DWBBQNKRWQEDMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10FNO3/c16-12-4-2-1-3-11(12)13-6-5-10(20-13)7-9-8-14(18)17-15(9)19/h1-7H,8H2,(H,17,18,19).
What are the key properties of 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione?
3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione has a molecular weight of 271.25 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-fluorophenyl)furan-2-yl]methylidene]pyrrolidine-2,5-dione is sourced from PubChem (CID 77040477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).