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

C17H15NO5 — CID 700783

IUPAC(1Z)-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-QPEQYQDCSA-N
MW313.31 g/mol
LogP2.46
Rot. Bonds3

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

(1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 700783) has the molecular formula C17H15NO5 and a molecular weight of 313.31 g/mol. Its IUPAC name is (1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID700783
Molecular FormulaC17H15NO5
Molecular Weight313.31 g/mol
Exact Mass313.10
IUPAC Name(1Z)-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-QPEQYQDCSA-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

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 700783) is (1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-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 (1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is CWXOBDIKPZSEQY-QPEQYQDCSA-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 (1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-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 (1Z)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 700783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).