methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate

C9H8O6 — CID 101066219

IUPACmethyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)O/C1=C\C(C)=O
InChIInChI=1S/C9H8O6/c1-4(10)3-5-6(8(12)14-2)7(11)9(13)15-5/h3,11H,1-2H3/b5-3-
InChIKeyQNJGXFXZAWBHLU-HYXAFXHYSA-N
MW212.16 g/mol
LogP0.00
Rot. Bonds2

About methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate

methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate (PubChem CID 101066219) has the molecular formula C9H8O6 and a molecular weight of 212.16 g/mol. Its IUPAC name is methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate.

Molecular Properties

Compound Namemethyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate
PubChem CID101066219
Molecular FormulaC9H8O6
Molecular Weight212.16 g/mol
Exact Mass212.03
IUPAC Namemethyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate
SMILESCOC(=O)C1=C(O)C(=O)O/C1=C\C(C)=O
InChIInChI=1S/C9H8O6/c1-4(10)3-5-6(8(12)14-2)7(11)9(13)15-5/h3,11H,1-2H3/b5-3-
InChIKeyQNJGXFXZAWBHLU-HYXAFXHYSA-N
XLogP0.00
TPSA89.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.16
LogP ≤ 50.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Xanthofusin
CID 54697199
4-Hydroxy-3-methyl-5-(2-oxopropylidene)furan-2-one
CID 76173461
(5Z)-3-hydroxy-4-methoxy-5-(2-oxopropylidene)furan-2-one
CID 11183026
methyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)-3-oxobutanoate
CID 101066226
ethyl (2E)-2-(4-hydroxy-5-oxofuran-2-ylidene)butanoate
CID 100986185
Diethyl (e)-2-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4h-pyran-2-yl]-2-butenedioate
CID 129834950
Dimethyl (e)-2-[3-hydroxy-6-(hydroxymethyl)-4-oxo-4h-pyran-2-yl]-2-butenedioate
CID 129837786
3-Hydroxy-4-(3-methylbut-2-enoyl)furan-2(5H)-one
CID 330474
(5Z)-5-ethylidene-3-hydroxy-4-propanoylfuran-2-one
CID 21605569
Methyl 2-hydroxy-4-oxo-4-(4-hydroxy-6-methyl-2-pyrone-3-yl)-2-butenoate
CID 54679636
methyl (2Z)-4-hydroxy-2-(2-methylpropylidene)-5-oxofuran-3-carboxylate
CID 54688673
ethyl (2Z)-2-(3-ethyl-4-hydroxy-5-oxofuran-2-ylidene)acetate
CID 54697242

Frequently Asked Questions

What is the IUPAC name of methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate?
The IUPAC name of methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate (CID 101066219) is methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate.
What is the SMILES notation for methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate?
The canonical SMILES for methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate is COC(=O)C1=C(O)C(=O)O/C1=C\C(C)=O.
What is the InChIKey of methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate?
The InChIKey is QNJGXFXZAWBHLU-HYXAFXHYSA-N. The full InChI is InChI=1S/C9H8O6/c1-4(10)3-5-6(8(12)14-2)7(11)9(13)15-5/h3,11H,1-2H3/b5-3-.
What are the key properties of methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate?
methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate has a molecular weight of 212.16 g/mol, XLogP of 0.00, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2Z)-4-hydroxy-5-oxo-2-(2-oxopropylidene)furan-3-carboxylate is sourced from PubChem (CID 101066219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).