(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one

C13H10O5 — CID 45035089

IUPAC(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one
SMILESCOC1=CC(=O)O/C1=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10O5/c1-15-10-6-13(14)18-12(10)5-8-2-3-9-11(4-8)17-7-16-9/h2-6H,7H2,1H3/b12-5-
InChIKeyGDKBHALBJARBSS-XGICHPGQSA-N
MW246.22 g/mol
LogP1.84
Rot. Bonds2

About (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one

(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one (PubChem CID 45035089) has the molecular formula C13H10O5 and a molecular weight of 246.22 g/mol. Its IUPAC name is (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one.

Molecular Properties

Compound Name(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one
PubChem CID45035089
Molecular FormulaC13H10O5
Molecular Weight246.22 g/mol
Exact Mass246.05
IUPAC Name(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one
SMILESCOC1=CC(=O)O/C1=C\c1ccc2c(c1)OCO2
InChIInChI=1S/C13H10O5/c1-15-10-6-13(14)18-12(10)5-8-2-3-9-11(4-8)17-7-16-9/h2-6H,7H2,1H3/b12-5-
InChIKeyGDKBHALBJARBSS-XGICHPGQSA-N
XLogP1.84
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.22
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-6-methoxy-5-methyl-1-benzofuran-3-one
CID 135053016
3-(1,3-benzodioxol-5-ylmethylidene)-2-benzofuran-1-one
CID 71353553
(2Z)-2-(1,3-benzodioxol-5-ylmethylidene)-1-benzofuran-3-one
CID 14547034
5-(1,3-benzodioxol-5-ylmethylidene)-3-ethyl-2-sulfanylidene-1,3-oxazolidin-4-one
CID 889118
2-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-3,4-dimethoxy-2,3-dihydropyran-6-one
CID 5371651
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-3-bromo-4-(4-fluoro-2-methoxyphenyl)furan-2-one
CID 71477972
2-(1,3-benzodioxol-5-ylmethylidene)-4-hydroxy-1-benzofuran-3-one
CID 162235943
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-5-methylthiophen-2-one
CID 6300693
1-(1,3-benzodioxol-5-ylmethylidene)-6-methyl-5H-furo[3,4-c]pyridine-3,4-dione
CID 536058
(3Z,5Z)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-4-one
CID 17368284
(3E,5E)-3,5-bis(1,3-benzodioxol-5-ylmethylidene)-1-methylpiperidin-1-ium-4-one
CID 7276934
(3Z)-3-(1,3-benzodioxol-5-ylmethylidene)-5-(3,4-dimethylphenyl)furan-2-one
CID 5455822

Frequently Asked Questions

What is the IUPAC name of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one?
The IUPAC name of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one (CID 45035089) is (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one.
What is the SMILES notation for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one?
The canonical SMILES for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one is COC1=CC(=O)O/C1=C\c1ccc2c(c1)OCO2.
What is the InChIKey of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one?
The InChIKey is GDKBHALBJARBSS-XGICHPGQSA-N. The full InChI is InChI=1S/C13H10O5/c1-15-10-6-13(14)18-12(10)5-8-2-3-9-11(4-8)17-7-16-9/h2-6H,7H2,1H3/b12-5-.
What are the key properties of (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one?
(5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one has a molecular weight of 246.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z)-5-(1,3-benzodioxol-5-ylmethylidene)-4-methoxyfuran-2-one is sourced from PubChem (CID 45035089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).