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

C17H15NO5 — CID 700782

IUPAC(1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCCOc1cc(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)ccc1O
InChIInChI=1S/C17H15NO5/c1-3-22-14-8-10(4-5-12(14)19)7-13-11-6-9(2)18-16(20)15(11)17(21)23-13/h4-8,19H,3H2,1-2H3,(H,18,20)/b13-7+
InChIKeyCWXOBDIKPZSEQY-NTUHNPAUSA-N
MW313.31 g/mol
LogP2.46
Rot. Bonds3

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

(1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 700782) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID700782
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCCOc1cc(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)ccc1O
InChIInChI=1S/C17H15NO5/c1-3-22-14-8-10(4-5-12(14)19)7-13-11-6-9(2)18-16(20)15(11)17(21)23-13/h4-8,19H,3H2,1-2H3,(H,18,20)/b13-7+
InChIKeyCWXOBDIKPZSEQY-NTUHNPAUSA-N
XLogP2.46
TPSA88.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.31
LogP ≤ 52.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 536058
(1E)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
CID 684188
(8Z)-8-[(3-ethoxy-4-hydroxyphenyl)methylidene]-4-methylfuro[2,3-h]chromene-2,9-dione
CID 162676744
3-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 50887631
(4E)-2-(2-bromophenyl)-4-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-oxazol-5-one
CID 94832007
(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 5452356
3-ethoxy-4-hydroxybenzaldehyde;formic acid
CID 175904717
2-ethoxy-4-[(Z)-hydroxyiminomethyl]phenol
CID 135832909
5-[3-(3-ethoxy-4-hydroxyphenyl)prop-2-enylidene]-1,3-oxazolidine-2,4-dione
CID 57083165
2-(2,3-dimethylphenyl)imino-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 135481643
2-(3,3-dimethyl-2-oxobutylidene)-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-thiazolidin-4-one
CID 71902885
5-bromo-3-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1H-indol-2-one
CID 5079357

Frequently Asked Questions

What is the IUPAC name of (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 700782) is (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is CCOc1cc(/C=C2/OC(=O)c3c2cc(C)[nH]c3=O)ccc1O.
What is the InChIKey of (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is CWXOBDIKPZSEQY-NTUHNPAUSA-N. The full InChI is InChI=1S/C17H15NO5/c1-3-22-14-8-10(4-5-12(14)19)7-13-11-6-9(2)18-16(20)15(11)17(21)23-13/h4-8,19H,3H2,1-2H3,(H,18,20)/b13-7+.
What are the key properties of (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 313.31 g/mol, XLogP of 2.46, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 700782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).