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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Related Compounds

2-[[5-(2-fluorophenyl)furan-2-yl]methylidene]indene-1,3-dione
CID 5015439
5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-sulfanylidene-1,3-thiazolidin-2-one
CID 4665185
(Z)-3-[5-(2-fluorophenyl)furan-2-yl]-2-sulfanylprop-2-enoic acid
CID 43839852
(5Z)-5-[[5-(2-methoxyphenyl)furan-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 11580302
2-[[5-(2,5-dichlorophenyl)furan-2-yl]methylidene]-3H-inden-1-one
CID 4185963
(3Z)-3-[(3-chloro-2-fluorophenyl)methylidene]pyrrolidine-2,5-dione
CID 114489016
3-(pyridin-2-ylmethylidene)pyrrolidine-2,5-dione
CID 76657528
6-[(5Z)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]hexanoic acid
CID 23474875
4-[(Z)-[5-(2-fluorophenyl)furan-2-yl]methylideneamino]-1,2,4-triazolidine-3,5-dithione
CID 9295789
(3Z)-3-[[5-(2-chlorophenyl)furan-2-yl]methylidene]-5-fluoro-1H-indol-2-one
CID 71511474
(4S)-4-[5-(2-fluorophenyl)furan-2-yl]-7,7-dimethyl-3,4-dihydro-1H-furo[3,4-b]pyridine-2,5-dione
CID 98234220
N-[(5E)-5-[[5-(2-fluorophenyl)furan-2-yl]methylidene]-4-oxo-1,3-thiazol-2-yl]propanamide
CID 5292308

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).