5-(furan-2-yl)-2,4-dioxopentanoic acid

C9H8O5 — CID 44591401

IUPAC5-(furan-2-yl)-2,4-dioxopentanoic acid
SMILESO=C(CC(=O)C(=O)O)Cc1ccco1
InChIInChI=1S/C9H8O5/c10-6(5-8(11)9(12)13)4-7-2-1-3-14-7/h1-3H,4-5H2,(H,12,13)
InChIKeyHGYDCJNEHNITQX-UHFFFAOYSA-N
MW196.16 g/mol
LogP0.44
Rot. Bonds5

About 5-(furan-2-yl)-2,4-dioxopentanoic acid

5-(furan-2-yl)-2,4-dioxopentanoic acid (PubChem CID 44591401) has the molecular formula C9H8O5 and a molecular weight of 196.16 g/mol. Its IUPAC name is 5-(furan-2-yl)-2,4-dioxopentanoic acid.

Molecular Properties

Compound Name5-(furan-2-yl)-2,4-dioxopentanoic acid
PubChem CID44591401
Molecular FormulaC9H8O5
Molecular Weight196.16 g/mol
Exact Mass196.04
IUPAC Name5-(furan-2-yl)-2,4-dioxopentanoic acid
SMILESO=C(CC(=O)C(=O)O)Cc1ccco1
InChIInChI=1S/C9H8O5/c10-6(5-8(11)9(12)13)4-7-2-1-3-14-7/h1-3H,4-5H2,(H,12,13)
InChIKeyHGYDCJNEHNITQX-UHFFFAOYSA-N
XLogP0.44
TPSA84.58 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.16
LogP ≤ 50.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

Analyze 5-(furan-2-yl)-2,4-dioxopentanoic acid with MolForge

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

Launch Full Analysis

Related Compounds

1-(furan-2-yl)-3-(methylamino)propan-2-one
CID 83635399
1-(furan-2-yl)-5-methylhexan-2-one
CID 83172823
1-(furan-2-yl)hexan-2-one
CID 3115857
1-(furan-2-yl)-3-(prop-2-ynylamino)propan-2-one
CID 116589494
1-(furan-2-yl)-3-(4-methylphenyl)propan-2-one
CID 83172579
1-(4-chlorophenyl)-3-(furan-2-yl)propan-2-one
CID 83172819
2-(furan-2-yl)acetic acid;3-hydroxy-2-oxopropanoic acid;2-oxopentanedioic acid;2-oxopropanedioic acid
CID 159818816
1-(butan-2-ylamino)-3-(furan-2-yl)propan-2-one
CID 116556195
1-(cyclopentylamino)-3-(furan-2-yl)propan-2-one
CID 116559078
N-ethyl-2-(furan-2-yl)acetamide
CID 110484557
7-amino-1-(furan-2-yl)-5,5-dimethylheptan-2-one
CID 116574856
1-(furan-2-yl)-6-methylheptan-2-one
CID 123946123

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-2,4-dioxopentanoic acid?
The IUPAC name of 5-(furan-2-yl)-2,4-dioxopentanoic acid (CID 44591401) is 5-(furan-2-yl)-2,4-dioxopentanoic acid.
What is the SMILES notation for 5-(furan-2-yl)-2,4-dioxopentanoic acid?
The canonical SMILES for 5-(furan-2-yl)-2,4-dioxopentanoic acid is O=C(CC(=O)C(=O)O)Cc1ccco1.
What is the InChIKey of 5-(furan-2-yl)-2,4-dioxopentanoic acid?
The InChIKey is HGYDCJNEHNITQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8O5/c10-6(5-8(11)9(12)13)4-7-2-1-3-14-7/h1-3H,4-5H2,(H,12,13).
What are the key properties of 5-(furan-2-yl)-2,4-dioxopentanoic acid?
5-(furan-2-yl)-2,4-dioxopentanoic acid has a molecular weight of 196.16 g/mol, XLogP of 0.44, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-2,4-dioxopentanoic acid is sourced from PubChem (CID 44591401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).