1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

C16H11NO5 — CID 536058

IUPAC1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C16H11NO5/c1-8-4-10-12(22-16(19)14(10)15(18)17-8)5-9-2-3-11-13(6-9)21-7-20-11/h2-6H,7H2,1H3,(H,17,18)
InChIKeyQEAJHMYMEGIKAL-UHFFFAOYSA-N
MW297.27 g/mol
LogP2.08
Rot. Bonds1

About 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione

1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (PubChem CID 536058) has the molecular formula C16H11NO5 and a molecular weight of 297.27 g/mol. Its IUPAC name is 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.

Molecular Properties

Compound Name1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
PubChem CID536058
Molecular FormulaC16H11NO5
Molecular Weight297.27 g/mol
Exact Mass297.06
IUPAC Name1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
SMILESCc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1ccc2c(c1)OCO2
InChIInChI=1S/C16H11NO5/c1-8-4-10-12(22-16(19)14(10)15(18)17-8)5-9-2-3-11-13(6-9)21-7-20-11/h2-6H,7H2,1H3,(H,17,18)
InChIKeyQEAJHMYMEGIKAL-UHFFFAOYSA-N
XLogP2.08
TPSA77.62 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
CID 71353553
(1E)-1-[(3-ethoxy-4-hydroxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 700782
(1E)-6-methyl-1-[(5-methylfuran-2-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
CID 684188
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methoxy-5-methyl-1-benzofuran-3-one
CID 135053016
2-(1,3-benzodioxol-5-ylmethylidene)-4-hydroxy-1-benzofuran-3-one
CID 162235943
(1Z)-1-[(3,4-dichloro-2-methoxyphenyl)methylidene]-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 5452356
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(2,5-dimethylphenyl)furan-2-one
CID 2190362
5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 889118
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one
CID 45035089
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(3,4-dimethylphenyl)furan-2-one
CID 5455822
(1E)-6-methyl-1-[(5-thiophen-2-yl-1H-pyrazol-4-yl)methylidene]-5H-furo[3,4-c]pyridine-3,4-dione
CID 6324434

Frequently Asked Questions

What is the IUPAC name of 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The IUPAC name of 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione (CID 536058) is 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione.
What is the SMILES notation for 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The canonical SMILES for 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is Cc1cc2c(c(=O)[nH]1)C(=O)OC2=Cc1ccc2c(c1)OCO2.
What is the InChIKey of 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
The InChIKey is QEAJHMYMEGIKAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO5/c1-8-4-10-12(22-16(19)14(10)15(18)17-8)5-9-2-3-11-13(6-9)21-7-20-11/h2-6H,7H2,1H3,(H,17,18).
What are the key properties of 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione?
1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione has a molecular weight of 297.27 g/mol, XLogP of 2.08, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione is sourced from PubChem (CID 536058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).