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

C15H11NO5 — CID 155537744

IUPAC(1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(O)c(O)c1
InChIInChI=1S/C15H11NO5/c1-7-4-9-12(21-15(20)13(9)14(19)16-7)6-8-2-3-10(17)11(18)5-8/h2-6,17-18H,1H3,(H,16,19)/b12-6-
InChIKeyWUPYNXLIKMGSQS-SDQBBNPISA-N
MW285.26 g/mol
LogP1.76
Rot. Bonds1

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

(1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 155537744) has the molecular formula C15H11NO5 and a molecular weight of 285.26 g/mol. Its IUPAC name is (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name(1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID155537744
Molecular FormulaC15H11NO5
Molecular Weight285.26 g/mol
Exact Mass285.06
IUPAC Name(1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(O)c(O)c1
InChIInChI=1S/C15H11NO5/c1-7-4-9-12(21-15(20)13(9)14(19)16-7)6-8-2-3-10(17)11(18)5-8/h2-6,17-18H,1H3,(H,16,19)/b12-6-
InChIKeyWUPYNXLIKMGSQS-SDQBBNPISA-N
XLogP1.76
TPSA99.62 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 51.76
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol_A(92)', 'substructure': 'N/A'}, {'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 155537744) is (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)O/C2=C\c1ccc(O)c(O)c1.
What is the InChIKey of (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is WUPYNXLIKMGSQS-SDQBBNPISA-N. The full InChI is InChI=1S/C15H11NO5/c1-7-4-9-12(21-15(20)13(9)14(19)16-7)6-8-2-3-10(17)11(18)5-8/h2-6,17-18H,1H3,(H,16,19)/b12-6-.
What are the key properties of (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
(1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 285.26 g/mol, XLogP of 1.76, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1Z)-1-[(3,4-dihydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 155537744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).