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

C17H15NO4 — CID 728734

IUPAC(1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCCOc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)cc1
InChIInChI=1S/C17H15NO4/c1-3-21-12-6-4-11(5-7-12)9-14-13-8-10(2)18-16(19)15(13)17(20)22-14/h4-9H,3H2,1-2H3,(H,18,19)/b14-9-
InChIKeySULVEYYSBHRWKO-ZROIWOOFSA-N
MW297.31 g/mol
LogP2.75
Rot. Bonds3

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

(1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 728734) has the molecular formula C17H15NO4 and a molecular weight of 297.31 g/mol. Its IUPAC name is (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID728734
Molecular FormulaC17H15NO4
Molecular Weight297.31 g/mol
Exact Mass297.10
IUPAC Name(1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCCOc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)cc1
InChIInChI=1S/C17H15NO4/c1-3-21-12-6-4-11(5-7-12)9-14-13-8-10(2)18-16(19)15(13)17(20)22-14/h4-9H,3H2,1-2H3,(H,18,19)/b14-9-
InChIKeySULVEYYSBHRWKO-ZROIWOOFSA-N
XLogP2.75
TPSA68.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione with MolForge

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Related Compounds

3-[3-(4-ethoxyphenyl)-2-methylacryloyl]-4,6-dimethyl-2(1H)-pyridinone
CID 5726238
ethyl 4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridine-3-carboxylate
CID 16728062
N-tert-butyl-2-oxo-2H-chromene-3-carboxamide
CID 2798381
ethyl (E)-3-[4-(3,5-dimethylphenoxy)-5-ethyl-6-methyl-2-oxo-1H-pyridin-3-yl]prop-2-enoate
CID 16728064
1-{4-[(2-Fluorobenzyl)oxy]benzylidene}-6-methylfuro[3,4-c]pyridine-3,4(1h,5h)-dione
CID 5370182
ethyl 4-methoxy-5-(4-methoxyphenyl)-2-oxo-1H-pyridine-3-carboxylate
CID 90667390
4-hydroxy-6-[3-(4-methylphenoxy)propyl]-1H-pyridin-2-one
CID 177638153
1-(4-Hydroxy-3-methoxy-benzylidene)-6-methyl-1H,5H-furo[3,4-c]pyridine-3,4-dione
CID 1822188
(1E)-1-(4-ethoxy-3-methoxybenzylidene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
CID 1826329
1-(3-ethoxy-4-hydroxybenzylidene)-6-methylfuro[3,4-c]pyridine-3,4(1H,5H)-dione
CID 700783
(1Z)-1-[(4-ethoxy-3-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 728771
(1Z)-1-[(4-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 1817667

Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 728734) is (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is CCOc1ccc(/C=C2\OC(=O)c3c2cc(C)[nH]c3=O)cc1.
What is the InChIKey of (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is SULVEYYSBHRWKO-ZROIWOOFSA-N. The full InChI is InChI=1S/C17H15NO4/c1-3-21-12-6-4-11(5-7-12)9-14-13-8-10(2)18-16(19)15(13)17(20)22-14/h4-9H,3H2,1-2H3,(H,18,19)/b14-9-.
What are the key properties of (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 297.31 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(4-ethoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 728734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).