(1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

C15H10FNO3 — CID 6323747

IUPAC(1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc(F)cc1
InChIInChI=1S/C15H10FNO3/c1-8-6-11-12(7-9-2-4-10(16)5-3-9)20-15(19)13(11)14(18)17-8/h2-7H,1H3,(H,17,18)/b12-7+
InChIKeyDDJHHWRSPLCHOU-KPKJPENVSA-N
MW271.25 g/mol
LogP2.49
Rot. Bonds1

About (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

(1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 6323747) has the molecular formula C15H10FNO3 and a molecular weight of 271.25 g/mol. Its IUPAC name is (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID6323747
Molecular FormulaC15H10FNO3
Molecular Weight271.25 g/mol
Exact Mass271.06
IUPAC Name(1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc(F)cc1
InChIInChI=1S/C15H10FNO3/c1-8-6-11-12(7-9-2-4-10(16)5-3-9)20-15(19)13(11)14(18)17-8/h2-7H,1H3,(H,17,18)/b12-7+
InChIKeyDDJHHWRSPLCHOU-KPKJPENVSA-N
XLogP2.49
TPSA59.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.25
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 6323747) is (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C/c1ccc(F)cc1.
What is the InChIKey of (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is DDJHHWRSPLCHOU-KPKJPENVSA-N. The full InChI is InChI=1S/C15H10FNO3/c1-8-6-11-12(7-9-2-4-10(16)5-3-9)20-15(19)13(11)14(18)17-8/h2-7H,1H3,(H,17,18)/b12-7+.
What are the key properties of (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 271.25 g/mol, XLogP of 2.49, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(4-fluorophenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 6323747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).