(2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate

C7H5O4- — CID 25246089

IUPAC(2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
SMILESCC1=C/C(=C/C(=O)[O-])OC1=O
InChIInChI=1S/C7H6O4/c1-4-2-5(3-6(8)9)11-7(4)10/h2-3H,1H3,(H,8,9)/p-1/b5-3-
InChIKeyHXXINAAENBITMD-HYXAFXHYSA-M
MW153.11 g/mol
LogP-0.88
Rot. Bonds1

About (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate

(2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate (PubChem CID 25246089) has the molecular formula C7H5O4- and a molecular weight of 153.11 g/mol. Its IUPAC name is (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate.

Molecular Properties

Compound Name(2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
PubChem CID25246089
Molecular FormulaC7H5O4-
Molecular Weight153.11 g/mol
Exact Mass153.02
IUPAC Name(2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate
SMILESCC1=C/C(=C/C(=O)[O-])OC1=O
InChIInChI=1S/C7H6O4/c1-4-2-5(3-6(8)9)11-7(4)10/h2-3H,1H3,(H,8,9)/p-1/b5-3-
InChIKeyHXXINAAENBITMD-HYXAFXHYSA-M
XLogP-0.88
TPSA66.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.11
LogP ≤ 5-0.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate?
The IUPAC name of (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate (CID 25246089) is (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate.
What is the SMILES notation for (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate?
The canonical SMILES for (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate is CC1=C/C(=C/C(=O)[O-])OC1=O.
What is the InChIKey of (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate?
The InChIKey is HXXINAAENBITMD-HYXAFXHYSA-M. The full InChI is InChI=1S/C7H6O4/c1-4-2-5(3-6(8)9)11-7(4)10/h2-3H,1H3,(H,8,9)/p-1/b5-3-.
What are the key properties of (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate?
(2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate has a molecular weight of 153.11 g/mol, XLogP of -0.88, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(4-methyl-5-oxofuran-2-ylidene)acetate is sourced from PubChem (CID 25246089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).