(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid

C10H6O4 — CID 736767

IUPAC(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
SMILESO=C(O)/C=C1\OC(=O)c2ccccc21
InChIInChI=1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)/b8-5-
InChIKeyXKMGDVJBAWUUDZ-YVMONPNESA-N
MW190.15 g/mol
LogP1.28
Rot. Bonds1

About (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid

(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid (PubChem CID 736767) has the molecular formula C10H6O4 and a molecular weight of 190.15 g/mol. Its IUPAC name is (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid.

Molecular Properties

Compound Name(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
PubChem CID736767
Molecular FormulaC10H6O4
Molecular Weight190.15 g/mol
Exact Mass190.03
IUPAC Name(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid
SMILESO=C(O)/C=C1\OC(=O)c2ccccc21
InChIInChI=1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)/b8-5-
InChIKeyXKMGDVJBAWUUDZ-YVMONPNESA-N
XLogP1.28
TPSA63.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.15
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid?
The IUPAC name of (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid (CID 736767) is (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid.
What is the SMILES notation for (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid?
The canonical SMILES for (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid is O=C(O)/C=C1\OC(=O)c2ccccc21.
What is the InChIKey of (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid?
The InChIKey is XKMGDVJBAWUUDZ-YVMONPNESA-N. The full InChI is InChI=1S/C10H6O4/c11-9(12)5-8-6-3-1-2-4-7(6)10(13)14-8/h1-5H,(H,11,12)/b8-5-.
What are the key properties of (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid?
(2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid has a molecular weight of 190.15 g/mol, XLogP of 1.28, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z)-2-(3-oxo-2-benzofuran-1-ylidene)acetic acid is sourced from PubChem (CID 736767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).